2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate

C78H79ClN12O10 — CID 160937987

About 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate

2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate (PubChem CID 160937987) has the molecular formula C78H79ClN12O10 and a molecular weight of 1380.02 g/mol. Its IUPAC name is 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate
• PubChem CID: 160937987
• Molecular Formula: C78H79ClN12O10
• Molecular Weight: 1380.02 g/mol
• Exact Mass: 1378.57
• IUPAC Name: 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate
• SMILES: COC(=O)c1ccnc(-c2nccn2CC2CCOc3cc(N(C)c4ccc(OC)cc4)ccc32)c1.COc1ccc(N(C)c2ccc3c(c2)OCCC3Cn2ccnc2-c2cc(C(=O)O)ccn2)cc1.Cc1cc(Cl)cc(C2CCN(Cc3cn(C)c(-c4cc(C(=O)O)ccn4)n3)CC2)c1
• InChI: InChI=1S/C28H28N4O4.C27H26N4O4.C23H25ClN4O2/c1-31(21-4-7-23(34-2)8-5-21)22-6-9-24-20(11-15-36-26(24)17-22)18-32-14-13-30-27(32)25-16-19(10-12-29-25)28(33)35-3;1-30(20-3-6-22(34-2)7-4-20)21-5-8-23-19(10-14-35-25(23)16-21)17-31-13-12-29-26(31)24-15-18(27(32)33)9-11-28-24;1-15-9-18(11-19(24)10-15)16-4-7-28(8-5-16)14-20-13-27(2)22(26-20)21-12-17(23(29)30)3-6-25-21/h4-10,12-14,16-17,20H,11,15,18H2,1-3H3;3-9,11-13,15-16,19H,10,14,17H2,1-2H3,(H,32,33);3,6,9-13,16H,4-5,7-8,14H2,1-2H3,(H,29,30)
• InChIKey: SUCYUFHJZHWZSO-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 239.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.02
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate?

The IUPAC name of 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate (CID 160937987) is 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate.

What is the SMILES notation for 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate?

The canonical SMILES for 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-c2nccn2CC2CCOc3cc(N(C)c4ccc(OC)cc4)ccc32)c1.COc1ccc(N(C)c2ccc3c(c2)OCCC3Cn2ccnc2-c2cc(C(=O)O)ccn2)cc1.Cc1cc(Cl)cc(C2CCN(Cc3cn(C)c(-c4cc(C(=O)O)ccn4)n3)CC2)c1.

What is the InChIKey of 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate?

The InChIKey is SUCYUFHJZHWZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4.C27H26N4O4.C23H25ClN4O2/c1-31(21-4-7-23(34-2)8-5-21)22-6-9-24-20(11-15-36-26(24)17-22)18-32-14-13-30-27(32)25-16-19(10-12-29-25)28(33)35-3;1-30(20-3-6-22(34-2)7-4-20)21-5-8-23-19(10-14-35-25(23)16-21)17-31-13-12-29-26(31)24-15-18(27(32)33)9-11-28-24;1-15-9-18(11-19(24)10-15)16-4-7-28(8-5-16)14-20-13-27(2)22(26-20)21-12-17(23(29)30)3-6-25-21/h4-10,12-14,16-17,20H,11,15,18H2,1-3H3;3-9,11-13,15-16,19H,10,14,17H2,1-2H3,(H,32,33);3,6,9-13,16H,4-5,7-8,14H2,1-2H3,(H,29,30).

What are the key properties of 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate?

2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate has a molecular weight of 1380.02 g/mol, XLogP of 14.58, 19 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate is sourced from PubChem (CID 160937987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).