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

C76H84Cl4N16O10 — CID 174204161

About 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

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 (PubChem CID 174204161) has the molecular formula C76H84Cl4N16O10 and a molecular weight of 1523.42 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 174204161
• Molecular Formula: C76H84Cl4N16O10
• Molecular Weight: 1523.42 g/mol
• Exact Mass: 1520.53
• IUPAC Name: 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
• SMILES: COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)ccc1CN1CC(CC(=O)O)C1.COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)ccc1CN1CC(CC(=O)O)C1
• InChI: InChI=1S/2C38H42Cl2N8O5/c2*1-22(49)47-14-10-25(11-15-47)48-16-12-31-30(21-48)42-36(45(31)2)37(52)43-29-6-4-5-27(33(29)39)35-34(40)26(9-13-41-35)28-8-7-24(38(44-28)53-3)20-46-18-23(19-46)17-32(50)51/h2*4-9,13,23,25H,10-12,14-21H2,1-3H3,(H,43,52)(H,50,51)
• InChIKey: GTRPEACZYJMFDZ-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 292.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1523.42
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)ccc1CN1CC(CC(=O)O)C1.COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)ccc1CN1CC(CC(=O)O)C1.

What is the InChIKey of 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?

The InChIKey is GTRPEACZYJMFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H42Cl2N8O5/c2*1-22(49)47-14-10-25(11-15-47)48-16-12-31-30(21-48)42-36(45(31)2)37(52)43-29-6-4-5-27(33(29)39)35-34(40)26(9-13-41-35)28-8-7-24(38(44-28)53-3)20-46-18-23(19-46)17-32(50)51/h2*4-9,13,23,25H,10-12,14-21H2,1-3H3,(H,43,52)(H,50,51).

What are the key properties of 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?

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 has a molecular weight of 1523.42 g/mol, XLogP of 10.77, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 174204161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).