N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C32H35Cl2N7O3 — CID 156575564

About N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 156575564) has the molecular formula C32H35Cl2N7O3 and a molecular weight of 636.58 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 156575564
• Molecular Formula: C32H35Cl2N7O3
• Molecular Weight: 636.58 g/mol
• Exact Mass: 635.22
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: CCn1c(C(=O)Nc2cccc(-c3cccc(-c4ncc(CN5CC(CO)C5)c(OC)n4)c3Cl)c2Cl)nc2c1CCN(C)C2
• InChI: InChI=1S/C32H35Cl2N7O3/c1-4-41-26-11-12-39(2)17-25(26)36-30(41)31(43)37-24-10-6-8-22(28(24)34)21-7-5-9-23(27(21)33)29-35-13-20(32(38-29)44-3)16-40-14-19(15-40)18-42/h5-10,13,19,42H,4,11-12,14-18H2,1-3H3,(H,37,43)
• InChIKey: NBGNJMXDEUNBEG-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 108.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.58
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 156575564) is N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-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-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is CCn1c(C(=O)Nc2cccc(-c3cccc(-c4ncc(CN5CC(CO)C5)c(OC)n4)c3Cl)c2Cl)nc2c1CCN(C)C2.

What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is NBGNJMXDEUNBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35Cl2N7O3/c1-4-41-26-11-12-39(2)17-25(26)36-30(41)31(43)37-24-10-6-8-22(28(24)34)21-7-5-9-23(27(21)33)29-35-13-20(32(38-29)44-3)16-40-14-19(15-40)18-42/h5-10,13,19,42H,4,11-12,14-18H2,1-3H3,(H,37,43).

What are the key properties of N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 636.58 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-3-[5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyrimidin-2-yl]phenyl]phenyl]-1-ethyl-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 156575564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).