4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide

C31H35ClN6O2 — CID 86724603

IUPAC4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCNC(=O)c1cc2nc(N3CCOC[C@H]3c3ccccc3)n(CC3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1
InChIInChI=1S/C31H35ClN6O2/c1-20-8-10-21(11-9-20)18-38-29-25(15-26(30(39)33-2)35-28(29)23-14-24(32)17-34-16-23)36-31(38)37-12-13-40-19-27(37)22-6-4-3-5-7-22/h3-7,14-17,20-21,27H,8-13,18-19H2,1-2H3,(H,33,39)/t20?,21?,27-/m0/s1
InChIKeyWQQBXFMMYBXVRZ-HTLZXYJSSA-N
MW559.11 g/mol
LogP5.91
Rot. Bonds6

About 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide

4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 86724603) has the molecular formula C31H35ClN6O2 and a molecular weight of 559.11 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID86724603
Molecular FormulaC31H35ClN6O2
Molecular Weight559.11 g/mol
Exact Mass558.25
IUPAC Name4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCNC(=O)c1cc2nc(N3CCOC[C@H]3c3ccccc3)n(CC3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1
InChIInChI=1S/C31H35ClN6O2/c1-20-8-10-21(11-9-20)18-38-29-25(15-26(30(39)33-2)35-28(29)23-14-24(32)17-34-16-23)36-31(38)37-12-13-40-19-27(37)22-6-4-3-5-7-22/h3-7,14-17,20-21,27H,8-13,18-19H2,1-2H3,(H,33,39)/t20?,21?,27-/m0/s1
InChIKeyWQQBXFMMYBXVRZ-HTLZXYJSSA-N
XLogP5.91
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.11
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide (CID 86724603) is 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide is CNC(=O)c1cc2nc(N3CCOC[C@H]3c3ccccc3)n(CC3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1.
What is the InChIKey of 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WQQBXFMMYBXVRZ-HTLZXYJSSA-N. The full InChI is InChI=1S/C31H35ClN6O2/c1-20-8-10-21(11-9-20)18-38-29-25(15-26(30(39)33-2)35-28(29)23-14-24(32)17-34-16-23)36-31(38)37-12-13-40-19-27(37)22-6-4-3-5-7-22/h3-7,14-17,20-21,27H,8-13,18-19H2,1-2H3,(H,33,39)/t20?,21?,27-/m0/s1.
What are the key properties of 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide?
4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 559.11 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-pyridinyl)-N-methyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 86724603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).