methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate

C37H41Cl2N7O5 — CID 170735184

About methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate

methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate (PubChem CID 170735184) has the molecular formula C37H41Cl2N7O5 and a molecular weight of 734.69 g/mol. Its IUPAC name is methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate.

Molecular Properties

• Compound Name: methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate
• PubChem CID: 170735184
• Molecular Formula: C37H41Cl2N7O5
• Molecular Weight: 734.69 g/mol
• Exact Mass: 733.25
• IUPAC Name: methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate
• SMILES: COC(=O)CCCN1CCc2c(nc(C(=O)Nc3cccc(-c4ccnc(-c5ccc(CNCC6CCC(=O)N6)c(OC)c5)c4Cl)c3Cl)n2C)C1
• InChI: InChI=1S/C37H41Cl2N7O5/c1-45-29-14-17-46(16-5-8-32(48)51-3)21-28(29)43-36(45)37(49)44-27-7-4-6-25(33(27)38)26-13-15-41-35(34(26)39)22-9-10-23(30(18-22)50-2)19-40-20-24-11-12-31(47)42-24/h4,6-7,9-10,13,15,18,24,40H,5,8,11-12,14,16-17,19-21H2,1-3H3,(H,42,47)(H,44,49)
• InChIKey: JIZLTJGDCFUVDB-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 139.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.69
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate?

The IUPAC name of methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate (CID 170735184) is methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate.

What is the SMILES notation for methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate?

The canonical SMILES for methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate is COC(=O)CCCN1CCc2c(nc(C(=O)Nc3cccc(-c4ccnc(-c5ccc(CNCC6CCC(=O)N6)c(OC)c5)c4Cl)c3Cl)n2C)C1.

What is the InChIKey of methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate?

The InChIKey is JIZLTJGDCFUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41Cl2N7O5/c1-45-29-14-17-46(16-5-8-32(48)51-3)21-28(29)43-36(45)37(49)44-27-7-4-6-25(33(27)38)26-13-15-41-35(34(26)39)22-9-10-23(30(18-22)50-2)19-40-20-24-11-12-31(47)42-24/h4,6-7,9-10,13,15,18,24,40H,5,8,11-12,14,16-17,19-21H2,1-3H3,(H,42,47)(H,44,49).

What are the key properties of methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate?

methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate has a molecular weight of 734.69 g/mol, XLogP of 5.40, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[2-[[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoate is sourced from PubChem (CID 170735184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).