N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C34H35Cl2F3N8O4 — CID 170735076

About N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170735076) has the molecular formula C34H35Cl2F3N8O4 and a molecular weight of 747.61 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170735076
• Molecular Formula: C34H35Cl2F3N8O4
• Molecular Weight: 747.61 g/mol
• Exact Mass: 746.21
• IUPAC Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(CC(O)C(F)(F)F)C5)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
• InChI: InChI=1S/C34H35Cl2F3N8O4/c1-46-25-11-13-47(17-26(48)34(37,38)39)16-24(25)43-31(46)32(50)44-23-5-3-4-21(28(23)35)30-29(36)20(10-12-41-30)22-8-6-18(33(45-22)51-2)14-40-15-19-7-9-27(49)42-19/h3-6,8,10,12,19,26,40,48H,7,9,11,13-17H2,1-2H3,(H,42,49)(H,44,50)/t19-,26?/m1/s1
• InChIKey: UGZKQSWOUUHXMW-ICCFGIFFSA-N
• XLogP: 4.76
• TPSA: 146.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	747.61
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170735076) is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(CC(O)C(F)(F)F)C5)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1.

What is the InChIKey of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is UGZKQSWOUUHXMW-ICCFGIFFSA-N. The full InChI is InChI=1S/C34H35Cl2F3N8O4/c1-46-25-11-13-47(17-26(48)34(37,38)39)16-24(25)43-31(46)32(50)44-23-5-3-4-21(28(23)35)30-29(36)20(10-12-41-30)22-8-6-18(33(45-22)51-2)14-40-15-19-7-9-27(49)42-19/h3-6,8,10,12,19,26,40,48H,7,9,11,13-17H2,1-2H3,(H,42,49)(H,44,50)/t19-,26?/m1/s1.

What are the key properties of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 747.61 g/mol, XLogP of 4.76, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-(3,3,3-trifluoro-2-hydroxypropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170735076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).