[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine

C88H92N10O11 — CID 158222680

IUPAC[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine
SMILESCOC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.COC(=O)C1CCNCC1.Nc1ccncc1N.O=C(O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.O=C(O)c1ccc(-c2ccccc2)cc1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccncc3[nH]2)CC1
InChIInChI=1S/C24H22N4O.C20H21NO3.C19H19NO3.C13H10O2.C7H13NO2.C5H7N3/c29-24(20-8-6-18(7-9-20)17-4-2-1-3-5-17)28-14-11-19(12-15-28)23-26-21-10-13-25-16-22(21)27-23;1-24-20(23)18-11-13-21(14-12-18)19(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;21-18(20-12-10-17(11-13-20)19(22)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-10-7(9)6-2-4-8-5-3-6;6-4-1-2-8-3-5(4)7/h1-10,13,16,19H,11-12,14-15H2,(H,26,27);2-10,18H,11-14H2,1H3;1-9,17H,10-13H2,(H,22,23);1-9H,(H,14,15);6,8H,2-5H2,1H3;1-3H,7H2,(H2,6,8)
InChIKeyGDKWGBAPYKIFIN-UHFFFAOYSA-N
MW1465.76 g/mol
LogP14.77
Rot. Bonds12

About [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine

[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine (PubChem CID 158222680) has the molecular formula C88H92N10O11 and a molecular weight of 1465.76 g/mol. Its IUPAC name is [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine.

Molecular Properties

Compound Name[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine
PubChem CID158222680
Molecular FormulaC88H92N10O11
Molecular Weight1465.76 g/mol
Exact Mass1464.69
IUPAC Name[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine
SMILESCOC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.COC(=O)C1CCNCC1.Nc1ccncc1N.O=C(O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.O=C(O)c1ccc(-c2ccccc2)cc1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccncc3[nH]2)CC1
InChIInChI=1S/C24H22N4O.C20H21NO3.C19H19NO3.C13H10O2.C7H13NO2.C5H7N3/c29-24(20-8-6-18(7-9-20)17-4-2-1-3-5-17)28-14-11-19(12-15-28)23-26-21-10-13-25-16-22(21)27-23;1-24-20(23)18-11-13-21(14-12-18)19(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;21-18(20-12-10-17(11-13-20)19(22)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-10-7(9)6-2-4-8-5-3-6;6-4-1-2-8-3-5(4)7/h1-10,13,16,19H,11-12,14-15H2,(H,26,27);2-10,18H,11-14H2,1H3;1-9,17H,10-13H2,(H,22,23);1-9H,(H,14,15);6,8H,2-5H2,1H3;1-3H,7H2,(H2,6,8)
InChIKeyGDKWGBAPYKIFIN-UHFFFAOYSA-N
XLogP14.77
TPSA306.66 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001465.76
LogP ≤ 514.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine with MolForge

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Related Compounds

3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 162674721
4-[[[5-[2-(2-Amino-3-pyridyl)-5-phenyl-imidazo[4,5-b]pyridin-3-yl]-2-pyridyl]amino]methyl]-3-fluoro-benzoic acid
CID 176267903
4-((5-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)carbamoyl)-3-fluorobenzoic acid
CID 176268025
4-((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)-3-fluorobenzoic acid
CID 176268153
4-((5-(2-(2-aminopyridin-3-yl)-5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)carbamoyl)benzoic acid
CID 176268176
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2-fluorobenzoic acid
CID 177821459
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-5-fluoro-2-methylbenzoic acid
CID 177821460
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2,5-difluorobenzoic acid
CID 177821462
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2-fluoro-5-methylbenzoic acid
CID 177821463
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2,6-difluorobenzoic acid
CID 177821464
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-6-methyl-2-pyridinyl]carbamoyl]-2-fluorobenzoic acid
CID 177821467
4-{2-[6-(3-Fluoro-pyridin-4-yl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-yl]-ethyl}-benzoic acid
CID 16117737

Frequently Asked Questions

What is the IUPAC name of [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine?
The IUPAC name of [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine (CID 158222680) is [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine.
What is the SMILES notation for [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine?
The canonical SMILES for [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine is COC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.COC(=O)C1CCNCC1.Nc1ccncc1N.O=C(O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.O=C(O)c1ccc(-c2ccccc2)cc1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccncc3[nH]2)CC1.
What is the InChIKey of [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine?
The InChIKey is GDKWGBAPYKIFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O.C20H21NO3.C19H19NO3.C13H10O2.C7H13NO2.C5H7N3/c29-24(20-8-6-18(7-9-20)17-4-2-1-3-5-17)28-14-11-19(12-15-28)23-26-21-10-13-25-16-22(21)27-23;1-24-20(23)18-11-13-21(14-12-18)19(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;21-18(20-12-10-17(11-13-20)19(22)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-10-7(9)6-2-4-8-5-3-6;6-4-1-2-8-3-5(4)7/h1-10,13,16,19H,11-12,14-15H2,(H,26,27);2-10,18H,11-14H2,1H3;1-9,17H,10-13H2,(H,22,23);1-9H,(H,14,15);6,8H,2-5H2,1H3;1-3H,7H2,(H2,6,8).
What are the key properties of [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine?
[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine has a molecular weight of 1465.76 g/mol, XLogP of 14.77, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;methyl 1-(4-phenylbenzoyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate;4-phenylbenzoic acid;1-(4-phenylbenzoyl)piperidine-4-carboxylic acid;pyridine-3,4-diamine is sourced from PubChem (CID 158222680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).