2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide

C19H18N6O3S — CID 174175784

IUPAC2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2nc3c(=O)n(C)ccc3[nH]2)c2[nH]c(C#N)cc2c1
InChIInChI=1S/C19H18N6O3S/c1-11-6-12-8-13(9-20)21-17(12)15(7-11)29(27,28)25(3)10-16-22-14-4-5-24(2)19(26)18(14)23-16/h4-8,21H,10H2,1-3H3,(H,22,23)
InChIKeyNWLRUCVKRXTRBK-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.74
Rot. Bonds4

About 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide

2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide (PubChem CID 174175784) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide.

Molecular Properties

Compound Name2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide
PubChem CID174175784
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2nc3c(=O)n(C)ccc3[nH]2)c2[nH]c(C#N)cc2c1
InChIInChI=1S/C19H18N6O3S/c1-11-6-12-8-13(9-20)21-17(12)15(7-11)29(27,28)25(3)10-16-22-14-4-5-24(2)19(26)18(14)23-16/h4-8,21H,10H2,1-3H3,(H,22,23)
InChIKeyNWLRUCVKRXTRBK-UHFFFAOYSA-N
XLogP1.74
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide?
The IUPAC name of 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide (CID 174175784) is 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide.
What is the SMILES notation for 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide?
The canonical SMILES for 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2nc3c(=O)n(C)ccc3[nH]2)c2[nH]c(C#N)cc2c1.
What is the InChIKey of 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide?
The InChIKey is NWLRUCVKRXTRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-11-6-12-8-13(9-20)21-17(12)15(7-11)29(27,28)25(3)10-16-22-14-4-5-24(2)19(26)18(14)23-16/h4-8,21H,10H2,1-3H3,(H,22,23).
What are the key properties of 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide?
2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide has a molecular weight of 410.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide is sourced from PubChem (CID 174175784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).