N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide

C18H14ClN5O2S — CID 86268994

IUPACN-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14ClN5O2S/c1-27(25,26)23-17-7-2-12(10-21-17)18-22-15-8-9-20-11-16(15)24(18)14-5-3-13(19)4-6-14/h2-11H,1H3,(H,21,23)
InChIKeyLUACNOLYHQNVKS-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.51
Rot. Bonds4

About N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide

N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 86268994) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide
PubChem CID86268994
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC NameN-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14ClN5O2S/c1-27(25,26)23-17-7-2-12(10-21-17)18-22-15-8-9-20-11-16(15)24(18)14-5-3-13(19)4-6-14/h2-11H,1H3,(H,21,23)
InChIKeyLUACNOLYHQNVKS-UHFFFAOYSA-N
XLogP3.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
Diphenyl purine derivative 1
CID 71714624
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
6-chloro-9-[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736765
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190878
Gsk1331258
CID 46190877
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine
CID 90183696
4-[2-(4-Chlorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745380
2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-1H-imidazo[4,5-c]pyridin-4-amine
CID 53476104

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide (CID 86268994) is N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is LUACNOLYHQNVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-27(25,26)23-17-7-2-12(10-21-17)18-22-15-8-9-20-11-16(15)24(18)14-5-3-13(19)4-6-14/h2-11H,1H3,(H,21,23).
What are the key properties of N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide?
N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 86268994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).