tert-Butyl 1-(3-Amino-5-fluoropyridin-4-yl)piperidine-4-carboxylate - CAS 1613192-01-0

Catalog:	BB070753
Product Name:	tert-Butyl 1-(3-Amino-5-fluoropyridin-4-yl)piperidine-4-carboxylate
CAS:	1613192-01-0
Synonyms:	1,1-Dimethylethyl 1-(3-amino-5-fluoro-4-pyridinyl)-4-piperidinecarboxylate

Technical Data

IUPAC Name:	tert-butyl 1-(3-amino-5-fluoropyridin-4-yl)piperidine-4-carboxylate
Description:	tert-Butyl 1-(3-amino-5-fluoropyridin-4-yl)piperidine-4-carboxylate may be useful in the preparation of 2-amino-6-fluoro-N-[5-fluoro-pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-carboxamide compounds as ATR kinase inhibitors for treating cancer and other diseases.
Molecular Weight:	295.35
Molecular Formula:	C15H22N3O2F
Canonical SMILES:	CC(C)(C)OC(=O)C1CCN(CC1)C2=C(C=NC=C2N)F
InChI:	InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17/h8-10H,4-7,17H2,1-3H3
InChI Key:	MOVLIJJQHSYTQS-UHFFFAOYSA-N
References:	Charrier, J., et al.; PCT Int. Appl., WO 2015085132, 182pp. (2015).

Complexity:	364
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.16960512
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	295.16960512
Rotatable Bond Count:	4
Topological Polar Surface Area:	68.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7