2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid

C36H41N7O5 — CID 175545072

IUPAC2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
SMILESCOc1nc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)O)C5)c3C)c2C)ccc1CN1CC[C@@H](NC(C)=O)C1
InChIInChI=1S/C36H41N7O5/c1-21-26(8-6-10-28(21)30-13-12-24(35(40-30)48-5)18-42-16-14-25(19-42)37-23(3)44)27-9-7-11-29(22(27)2)39-34(45)33-38-31-20-43(36(46)47)17-15-32(31)41(33)4/h6-13,25H,14-20H2,1-5H3,(H,37,44)(H,39,45)(H,46,47)/t25-/m1/s1
InChIKeyKMVBWOLQTASJFM-RUZDIDTESA-N
MW651.77 g/mol
LogP4.77
Rot. Bonds8

About 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid

2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 175545072) has the molecular formula C36H41N7O5 and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
PubChem CID175545072
Molecular FormulaC36H41N7O5
Molecular Weight651.77 g/mol
Exact Mass651.32
IUPAC Name2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
SMILESCOc1nc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)O)C5)c3C)c2C)ccc1CN1CC[C@@H](NC(C)=O)C1
InChIInChI=1S/C36H41N7O5/c1-21-26(8-6-10-28(21)30-13-12-24(35(40-30)48-5)18-42-16-14-25(19-42)37-23(3)44)27-9-7-11-29(22(27)2)39-34(45)33-38-31-20-43(36(46)47)17-15-32(31)41(33)4/h6-13,25H,14-20H2,1-5H3,(H,37,44)(H,39,45)(H,46,47)/t25-/m1/s1
InChIKeyKMVBWOLQTASJFM-RUZDIDTESA-N
XLogP4.77
TPSA141.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.77
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid with MolForge

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Related Compounds

N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 156575324
2-[1-[[6-[2-[3-[[5-(1-acetylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-3-chloro-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetic acid
CID 174204161
N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 156575389
N-[2-chloro-3-[2-chloro-3-[5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 156575531
3-[[6-[2-[3-[[5-(1-acetylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-3-chloro-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]propanoic acid
CID 170735124
N-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 156575158
2-[1-[[6-[3-chloro-2-[2-chloro-3-[[5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetic acid
CID 170735169
N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 156575744
N-[2-chloro-3-[3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135146686
5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 170734801
N-[3-[3-[5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 168812476
4-[[2-[[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 135146540

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid (CID 175545072) is 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid is COc1nc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)O)C5)c3C)c2C)ccc1CN1CC[C@@H](NC(C)=O)C1.
What is the InChIKey of 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is KMVBWOLQTASJFM-RUZDIDTESA-N. The full InChI is InChI=1S/C36H41N7O5/c1-21-26(8-6-10-28(21)30-13-12-24(35(40-30)48-5)18-42-16-14-25(19-42)37-23(3)44)27-9-7-11-29(22(27)2)39-34(45)33-38-31-20-43(36(46)47)17-15-32(31)41(33)4/h6-13,25H,14-20H2,1-5H3,(H,37,44)(H,39,45)(H,46,47)/t25-/m1/s1.
What are the key properties of 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 651.77 g/mol, XLogP of 4.77, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-[5-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 175545072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).