4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid

C43H49Cl2N7O6 — CID 147484765

IUPAC4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCn1c(C(=O)Cc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(CCC46CCC(C(=O)O)(CC4)C6)C5)c3Cl)c2Cl)nc2c1CCN(CCCC(=O)O)C2
InChIInChI=1S/C43H49Cl2N7O6/c1-49-32-11-19-51(18-5-10-35(54)55)23-30(32)46-38(49)34(53)22-26-6-3-7-27(36(26)44)28-8-4-9-29(37(28)45)48-40(56)39-47-31-24-52(20-12-33(31)50(39)2)21-17-42-13-15-43(25-42,16-14-42)41(57)58/h3-4,6-9H,5,10-25H2,1-2H3,(H,48,56)(H,54,55)(H,57,58)
InChIKeyFEIVQXZTPRFBMU-UHFFFAOYSA-N
MW830.81 g/mol
LogP6.81
Rot. Bonds14

About 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid

4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 147484765) has the molecular formula C43H49Cl2N7O6 and a molecular weight of 830.81 g/mol. Its IUPAC name is 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID147484765
Molecular FormulaC43H49Cl2N7O6
Molecular Weight830.81 g/mol
Exact Mass829.31
IUPAC Name4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCn1c(C(=O)Cc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(CCC46CCC(C(=O)O)(CC4)C6)C5)c3Cl)c2Cl)nc2c1CCN(CCCC(=O)O)C2
InChIInChI=1S/C43H49Cl2N7O6/c1-49-32-11-19-51(18-5-10-35(54)55)23-30(32)46-38(49)34(53)22-26-6-3-7-27(36(26)44)28-8-4-9-29(37(28)45)48-40(56)39-47-31-24-52(20-12-33(31)50(39)2)21-17-42-13-15-43(25-42,16-14-42)41(57)58/h3-4,6-9H,5,10-25H2,1-2H3,(H,48,56)(H,54,55)(H,57,58)
InChIKeyFEIVQXZTPRFBMU-UHFFFAOYSA-N
XLogP6.81
TPSA162.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.81
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid with MolForge

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Related Compounds

4-[2-[2-[[3-[3-[2-[5-[(3-carboxy-1-bicyclo[1.1.1]pentanyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 147022741
4-[2-[2-[[2-chloro-3-[2-chloro-3-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 160746083
methyl 4-[2-[2-[[2-chloro-3-[2-chloro-3-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate
CID 159469152
4-[2-[2-[[3-[3-[[5-[2-(4-carboxy-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chloroanilino]-hydroxymethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 156740559
4-[2-[2-[[3-[3-[[5-[2-(4-carboxy-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146234791
4-[2-[2-[[3-[2-chloro-3-(methylamino)phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146252941
4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 167053956
4-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(5-methyl-4-oxohexyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoic acid
CID 167379878
4-[2-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146234788
4-[[2-[[2-chloro-3-[2-chloro-3-[2-[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146802538
4-[2-[2-[[3-[3-[[5-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 175849071
4-[2-[2-[[3-[3-[[5-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 175849121

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid (CID 147484765) is 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid is Cn1c(C(=O)Cc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(CCC46CCC(C(=O)O)(CC4)C6)C5)c3Cl)c2Cl)nc2c1CCN(CCCC(=O)O)C2.
What is the InChIKey of 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is FEIVQXZTPRFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49Cl2N7O6/c1-49-32-11-19-51(18-5-10-35(54)55)23-30(32)46-38(49)34(53)22-26-6-3-7-27(36(26)44)28-8-4-9-29(37(28)45)48-40(56)39-47-31-24-52(20-12-33(31)50(39)2)21-17-42-13-15-43(25-42,16-14-42)41(57)58/h3-4,6-9H,5,10-25H2,1-2H3,(H,48,56)(H,54,55)(H,57,58).
What are the key properties of 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid?
4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 830.81 g/mol, XLogP of 6.81, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[[3-[3-[2-[5-(3-carboxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 147484765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).