N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C32H37Cl2F2N5O2 — CID 170384167

About N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170384167) has the molecular formula C32H37Cl2F2N5O2 and a molecular weight of 632.58 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170384167
• Molecular Formula: C32H37Cl2F2N5O2
• Molecular Weight: 632.58 g/mol
• Exact Mass: 631.23
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: CNc1cccc(-c2cccc(NC(=O)c3nc4c(n3C)CCN(CCC35CCC(COC(F)F)(CC3)C5)C4)c2Cl)c1Cl
• InChI: InChI=1S/C32H37Cl2F2N5O2/c1-37-22-7-3-5-20(26(22)33)21-6-4-8-23(27(21)34)39-29(42)28-38-24-17-41(15-9-25(24)40(28)2)16-14-31-10-12-32(18-31,13-11-31)19-43-30(35)36/h3-8,30,37H,9-19H2,1-2H3,(H,39,42)
• InChIKey: PRXKUPUMUWEASN-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 71.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.58
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170384167) is N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is CNc1cccc(-c2cccc(NC(=O)c3nc4c(n3C)CCN(CCC35CCC(COC(F)F)(CC3)C5)C4)c2Cl)c1Cl.

What is the InChIKey of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is PRXKUPUMUWEASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37Cl2F2N5O2/c1-37-22-7-3-5-20(26(22)33)21-6-4-8-23(27(21)34)39-29(42)28-38-24-17-41(15-9-25(24)40(28)2)16-14-31-10-12-32(18-31,13-11-31)19-43-30(35)36/h3-8,30,37H,9-19H2,1-2H3,(H,39,42).

What are the key properties of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 632.58 g/mol, XLogP of 7.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170384167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).