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4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide

C25H22ClFN10O — CID 172602024

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide
SMILESCN1C[C@@H](NC(=O)c2cc(Cl)ccn2)C[C@@H](n2c(-c3ncccc3F)nc3cnc(-c4ncn[nH]4)cc32)C1
InChIInChI=1S/C25H22ClFN10O/c1-36-11-15(33-25(38)19-7-14(26)4-6-28-19)8-16(12-36)37-21-9-18(23-31-13-32-35-23)30-10-20(21)34-24(37)22-17(27)3-2-5-29-22/h2-7,9-10,13,15-16H,8,11-12H2,1H3,(H,33,38)(H,31,32,35)/t15-,16+/m0/s1
InChIKeyBULMOZHNXLXLFT-JKSUJKDBSA-N
MW532.97 g/mol
LogP3.14
Rot. Bonds5

About 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide

4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide (PubChem CID 172602024) has the molecular formula C25H22ClFN10O and a molecular weight of 532.97 g/mol. Its IUPAC name is 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide
PubChem CID172602024
Molecular FormulaC25H22ClFN10O
Molecular Weight532.97 g/mol
Exact Mass532.17
IUPAC Name4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide
SMILESCN1C[C@@H](NC(=O)c2cc(Cl)ccn2)C[C@@H](n2c(-c3ncccc3F)nc3cnc(-c4ncn[nH]4)cc32)C1
InChIInChI=1S/C25H22ClFN10O/c1-36-11-15(33-25(38)19-7-14(26)4-6-28-19)8-16(12-36)37-21-9-18(23-31-13-32-35-23)30-10-20(21)34-24(37)22-17(27)3-2-5-29-22/h2-7,9-10,13,15-16H,8,11-12H2,1H3,(H,33,38)(H,31,32,35)/t15-,16+/m0/s1
InChIKeyBULMOZHNXLXLFT-JKSUJKDBSA-N
XLogP3.14
TPSA130.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.97
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide (CID 172602024) is 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide is CN1C[C@@H](NC(=O)c2cc(Cl)ccn2)C[C@@H](n2c(-c3ncccc3F)nc3cnc(-c4ncn[nH]4)cc32)C1.
What is the InChIKey of 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is BULMOZHNXLXLFT-JKSUJKDBSA-N. The full InChI is InChI=1S/C25H22ClFN10O/c1-36-11-15(33-25(38)19-7-14(26)4-6-28-19)8-16(12-36)37-21-9-18(23-31-13-32-35-23)30-10-20(21)34-24(37)22-17(27)3-2-5-29-22/h2-7,9-10,13,15-16H,8,11-12H2,1H3,(H,33,38)(H,31,32,35)/t15-,16+/m0/s1.
What are the key properties of 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide?
4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 532.97 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,5R)-5-[2-(3-fluoro-2-pyridinyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 172602024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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