4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide

C18H19N5O3S — CID 24985568

IUPAC4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(OC)cc21
InChIInChI=1S/C18H19N5O3S/c1-4-23-16-9-17(26-3)20-11-15(16)21-18(23)12(2)22-27(24,25)14-7-5-13(10-19)6-8-14/h5-9,11-12,22H,4H2,1-3H3/t12-/m1/s1
InChIKeyQRLGZTQCWNNFCN-GFCCVEGCSA-N
MW385.45 g/mol
LogP2.37
Rot. Bonds6

About 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide

4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 24985568) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID24985568
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(OC)cc21
InChIInChI=1S/C18H19N5O3S/c1-4-23-16-9-17(26-3)20-11-15(16)21-18(23)12(2)22-27(24,25)14-7-5-13(10-19)6-8-14/h5-9,11-12,22H,4H2,1-3H3/t12-/m1/s1
InChIKeyQRLGZTQCWNNFCN-GFCCVEGCSA-N
XLogP2.37
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-((3-(6-Methoxypyridin-3-yl)imidazo[1,2-b]pyridazin-6-ylamino)methyl)benzenesulfonamide
CID 44530411
6-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]pyridine-3-sulfonamide
CID 24985569
4-[[[3-(3-Methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25206490
6-(3-cyano-1-cyclobutyl-6-methoxy-pyrrolo[2,3-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49783095
4-cyano-N-[(1R)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 59177290
2-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-isopropyl-pyrimidine-5-sulfonamide
CID 66730724
1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 126720428
N-{[3-(2-methoxybenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-2,4,6-trimethyl-1-benzenesulfonamide
CID 16031217
N-(5-(imidazo[1,2-a]pyrimidin-2-yl)-2-methoxyphenyl)benzenesulfonamide
CID 16187076
N-[1-[2-(4-methoxyanilino)pyrimidin-4-yl]pyrrolidin-3-yl]-4-propylbenzenesulfonamide
CID 44525941
4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenesulfonamide
CID 145984390
1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 162655699

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (CID 24985568) is 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(OC)cc21.
What is the InChIKey of 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is QRLGZTQCWNNFCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-4-23-16-9-17(26-3)20-11-15(16)21-18(23)12(2)22-27(24,25)14-7-5-13(10-19)6-8-14/h5-9,11-12,22H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24985568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).