2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C27H24ClN7O — CID 172532499

IUPAC2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1cccc2ccnc(N(C(=O)c3ccc(-n4nnc5cccnc54)cc3Cl)[C@@H]3CCCNC3)c12
InChIInChI=1S/C27H24ClN7O/c1-17-5-2-6-18-11-14-31-26(24(17)18)34(20-7-3-12-29-16-20)27(36)21-10-9-19(15-22(21)28)35-25-23(32-33-35)8-4-13-30-25/h2,4-6,8-11,13-15,20,29H,3,7,12,16H2,1H3/t20-/m1/s1
InChIKeyIFLXNXMWTKUGBH-HXUWFJFHSA-N
MW497.99 g/mol
LogP4.72
Rot. Bonds4

About 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 172532499) has the molecular formula C27H24ClN7O and a molecular weight of 497.99 g/mol. Its IUPAC name is 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID172532499
Molecular FormulaC27H24ClN7O
Molecular Weight497.99 g/mol
Exact Mass497.17
IUPAC Name2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1cccc2ccnc(N(C(=O)c3ccc(-n4nnc5cccnc54)cc3Cl)[C@@H]3CCCNC3)c12
InChIInChI=1S/C27H24ClN7O/c1-17-5-2-6-18-11-14-31-26(24(17)18)34(20-7-3-12-29-16-20)27(36)21-10-9-19(15-22(21)28)35-25-23(32-33-35)8-4-13-30-25/h2,4-6,8-11,13-15,20,29H,3,7,12,16H2,1H3/t20-/m1/s1
InChIKeyIFLXNXMWTKUGBH-HXUWFJFHSA-N
XLogP4.72
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.99
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(5-methoxytriazolo[4,5-b]pyridin-3-yl)-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532094
2-fluoro-N-[8-[(E)-3-hydroxyprop-1-enyl]isoquinolin-1-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532691
N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532902
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(5-methyltetrazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533089
2-fluoro-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-1-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532996
2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172533435
2-fluoro-N-[7-(3-hydroxypropyl)isoquinolin-1-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532113
2-fluoro-N-[(3R)-piperidin-3-yl]-N-(6-pyridin-3-ylisoquinolin-1-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532892
ethyl (E)-3-[1-[[2-fluoro-4-(triazolo[4,5-b]pyridin-3-yl)benzoyl]-[(3R)-piperidin-3-yl]amino]isoquinolin-6-yl]prop-2-enoate
CID 172532661
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[1-(trideuteriomethyl)triazol-4-yl]benzamide
CID 172532539
2-fluoro-4-(hydroxymethyl)-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533421
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533003

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 172532499) is 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is Cc1cccc2ccnc(N(C(=O)c3ccc(-n4nnc5cccnc54)cc3Cl)[C@@H]3CCCNC3)c12.
What is the InChIKey of 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is IFLXNXMWTKUGBH-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H24ClN7O/c1-17-5-2-6-18-11-14-31-26(24(17)18)34(20-7-3-12-29-16-20)27(36)21-10-9-19(15-22(21)28)35-25-23(32-33-35)8-4-13-30-25/h2,4-6,8-11,13-15,20,29H,3,7,12,16H2,1H3/t20-/m1/s1.
What are the key properties of 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 497.99 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 172532499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).