4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride

C24H22ClFN8O — CID 142749954

IUPAC4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride
SMILESCl.N#Cc1cnc(N)c2c(-c3ccc(C(=O)Nc4ccccn4)cc3F)nn([C@@H]3CCCNC3)c12
InChIInChI=1S/C24H21FN8O.ClH/c25-18-10-14(24(34)31-19-5-1-2-9-29-19)6-7-17(18)21-20-22(15(11-26)12-30-23(20)27)33(32-21)16-4-3-8-28-13-16;/h1-2,5-7,9-10,12,16,28H,3-4,8,13H2,(H2,27,30)(H,29,31,34);1H/t16-;/m1./s1
InChIKeyZJJTVOIEJTUVGE-PKLMIRHRSA-N
MW492.95 g/mol
LogP3.68
Rot. Bonds4

About 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride

4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride (PubChem CID 142749954) has the molecular formula C24H22ClFN8O and a molecular weight of 492.95 g/mol. Its IUPAC name is 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride
PubChem CID142749954
Molecular FormulaC24H22ClFN8O
Molecular Weight492.95 g/mol
Exact Mass492.16
IUPAC Name4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride
SMILESCl.N#Cc1cnc(N)c2c(-c3ccc(C(=O)Nc4ccccn4)cc3F)nn([C@@H]3CCCNC3)c12
InChIInChI=1S/C24H21FN8O.ClH/c25-18-10-14(24(34)31-19-5-1-2-9-29-19)6-7-17(18)21-20-22(15(11-26)12-30-23(20)27)33(32-21)16-4-3-8-28-13-16;/h1-2,5-7,9-10,12,16,28H,3-4,8,13H2,(H2,27,30)(H,29,31,34);1H/t16-;/m1./s1
InChIKeyZJJTVOIEJTUVGE-PKLMIRHRSA-N
XLogP3.68
TPSA134.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.95
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride?
The IUPAC name of 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride (CID 142749954) is 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride is Cl.N#Cc1cnc(N)c2c(-c3ccc(C(=O)Nc4ccccn4)cc3F)nn([C@@H]3CCCNC3)c12.
What is the InChIKey of 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride?
The InChIKey is ZJJTVOIEJTUVGE-PKLMIRHRSA-N. The full InChI is InChI=1S/C24H21FN8O.ClH/c25-18-10-14(24(34)31-19-5-1-2-9-29-19)6-7-17(18)21-20-22(15(11-26)12-30-23(20)27)33(32-21)16-4-3-8-28-13-16;/h1-2,5-7,9-10,12,16,28H,3-4,8,13H2,(H2,27,30)(H,29,31,34);1H/t16-;/m1./s1.
What are the key properties of 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride?
4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride has a molecular weight of 492.95 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 142749954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).