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

C37H39Cl2N9O4 — CID 170735377

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170735377) has the molecular formula C37H39Cl2N9O4 and a molecular weight of 744.68 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170735377
• Molecular Formula: C37H39Cl2N9O4
• Molecular Weight: 744.68 g/mol
• Exact Mass: 743.25
• IUPAC Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(Cc4oc(C)nc4C)C5)c3Cl)c2Cl)ccc1CNCC1CCC(=O)N1
• InChI: InChI=1S/C37H39Cl2N9O4/c1-20-30(52-21(2)42-20)19-48-15-13-29-28(18-48)44-35(47(29)3)36(50)45-27-7-5-6-25(32(27)38)34-33(39)24(12-14-41-34)26-10-8-22(37(46-26)51-4)16-40-17-23-9-11-31(49)43-23/h5-8,10,12,14,23,40H,9,11,13,15-19H2,1-4H3,(H,43,49)(H,45,50)
• InChIKey: FAQJCSSZHLZUSH-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 152.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	744.68
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170735377) is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(Cc4oc(C)nc4C)C5)c3Cl)c2Cl)ccc1CNCC1CCC(=O)N1.

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

The InChIKey is FAQJCSSZHLZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39Cl2N9O4/c1-20-30(52-21(2)42-20)19-48-15-13-29-28(18-48)44-35(47(29)3)36(50)45-27-7-5-6-25(32(27)38)34-33(39)24(12-14-41-34)26-10-8-22(37(46-26)51-4)16-40-17-23-9-11-31(49)43-23/h5-8,10,12,14,23,40H,9,11,13,15-19H2,1-4H3,(H,43,49)(H,45,50).

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 744.68 g/mol, XLogP of 5.64, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170735377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).