N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide

C19H20N6O2S — CID 91808179

IUPACN-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12
InChIInChI=1S/C19H20N6O2S/c1-4-7-28(26,27)25-19-14-8-13(5-6-17(14)23-24-19)18-15(9-20)11(2)22-12(3)16(18)10-21/h5-6,8,15,18H,4,7H2,1-3H3,(H2,23,24,25)
InChIKeyWRCJDQCOMLIFGQ-UHFFFAOYSA-N
MW396.48 g/mol
LogP3.21
Rot. Bonds5

About N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide

N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide (PubChem CID 91808179) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide
PubChem CID91808179
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC NameN-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12
InChIInChI=1S/C19H20N6O2S/c1-4-7-28(26,27)25-19-14-8-13(5-6-17(14)23-24-19)18-15(9-20)11(2)22-12(3)16(18)10-21/h5-6,8,15,18H,4,7H2,1-3H3,(H2,23,24,25)
InChIKeyWRCJDQCOMLIFGQ-UHFFFAOYSA-N
XLogP3.21
TPSA134.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide (CID 91808179) is N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12.
What is the InChIKey of N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide?
The InChIKey is WRCJDQCOMLIFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-4-7-28(26,27)25-19-14-8-13(5-6-17(14)23-24-19)18-15(9-20)11(2)22-12(3)16(18)10-21/h5-6,8,15,18H,4,7H2,1-3H3,(H2,23,24,25).
What are the key properties of N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide?
N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide has a molecular weight of 396.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 91808179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).