6-Amino-3-methyl-4-(3-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile - CAS 132813-99-1
Catalog: |
BB061397 |
Product Name: |
6-Amino-3-methyl-4-(3-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
CAS: |
132813-99-1 |
Synonyms: |
6-Amino-3-methyl-4-(3-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; 6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; 6-amino-3-methyl-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; 6-AMINO-3-METHYL-4-(PYRIDIN-3-YL)-1H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE |
IUPAC Name: | 6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
Molecular Weight: | 253.26 |
Molecular Formula: | C13H11N5O |
Canonical SMILES: | CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CN=CC=C3 |
InChI: | InChI=1S/C13H11N5O/c1-7-10-11(8-3-2-4-16-6-8)9(5-14)12(15)19-13(10)18-17-7/h2-4,6,11H,15H2,1H3,(H,17,18) |
InChI Key: | VYGIWUNRWYXGJY-UHFFFAOYSA-N |
References: | Abdelrazek, F. M., et al. Afinidad, 65, 482-487 (2008). |
Complexity: | 440 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.09635999 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.09635999 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 101Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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