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

C20H21N5O2S — CID 59177244

IUPAC4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C3CC3)cc21
InChIInChI=1S/C20H21N5O2S/c1-3-25-19-10-17(15-6-7-15)22-12-18(19)23-20(25)13(2)24-28(26,27)16-8-4-14(11-21)5-9-16/h4-5,8-10,12-13,15,24H,3,6-7H2,1-2H3/t13-/m1/s1
InChIKeyDYKHRYUHOGRALL-CYBMUJFWSA-N
MW395.49 g/mol
LogP3.24
Rot. Bonds6

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

4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 59177244) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID59177244
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C3CC3)cc21
InChIInChI=1S/C20H21N5O2S/c1-3-25-19-10-17(15-6-7-15)22-12-18(19)23-20(25)13(2)24-28(26,27)16-8-4-14(11-21)5-9-16/h4-5,8-10,12-13,15,24H,3,6-7H2,1-2H3/t13-/m1/s1
InChIKeyDYKHRYUHOGRALL-CYBMUJFWSA-N
XLogP3.24
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (CID 59177244) is 4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C3CC3)cc21.
What is the InChIKey of 4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is DYKHRYUHOGRALL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-3-25-19-10-17(15-6-7-15)22-12-18(19)23-20(25)13(2)24-28(26,27)16-8-4-14(11-21)5-9-16/h4-5,8-10,12-13,15,24H,3,6-7H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 395.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 59177244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).