1H-Pyrrolo[2,3-b]pyridin-1-amine - CAS 161264-46-6

Catalog:	BB064400
Product Name:	1H-Pyrrolo[2,3-b]pyridin-1-amine
CAS:	161264-46-6
Synonyms:	1H-Pyrrolo[2,3-b]pyridin-1-amine; pyrrolo[2,3-b]pyridin-1-amine; 1H-Pyrrolo[2,3-b]pyridin-1-amine(9CI); pyrrolo[2,3-b]pyridin-1-ylamine; pyrrolo[2,3-b]pyridine-1-ylamine; N-amino-1h-pyrrolo[2,3-b]pyridine

Technical Data

IUPAC Name:	pyrrolo[2,3-b]pyridin-1-amine
Description:	1H-Pyrrolo[2,3-b]pyridin-1-amine is an intermediate in the preparation of PGDS inhibitors which are used for the treatment of allergic and inflammatory diseases.
Molecular Weight:	133.15
Molecular Formula:	C7H7N3
Canonical SMILES:	C1=CC2=C(N=C1)N(C=C2)N
InChI:	InChI=1S/C7H7N3/c8-10-5-3-6-2-1-4-9-7(6)10/h1-5H,8H2
InChI Key:	YKDJLEIIKHBILS-UHFFFAOYSA-N
References:	Aldous, S. C., et al. PCT Int. Appl. (2008), WO 2008121670 A1.

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.063997236
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1