N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C14H10N6O3S — CID 167787090

IUPACN-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cnc2ccnn12
InChIInChI=1S/C14H10N6O3S/c1-9-12(8-17-13-2-3-18-20(9)13)14(21)19-24(22,23)11-4-10(5-15)6-16-7-11/h2-4,6-8H,1H3,(H,19,21)
InChIKeyIBXWAHQZJKZTSM-UHFFFAOYSA-N
MW342.34 g/mol
LogP0.42
Rot. Bonds3

About N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 167787090) has the molecular formula C14H10N6O3S and a molecular weight of 342.34 g/mol. Its IUPAC name is N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID167787090
Molecular FormulaC14H10N6O3S
Molecular Weight342.34 g/mol
Exact Mass342.05
IUPAC NameN-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cnc2ccnn12
InChIInChI=1S/C14H10N6O3S/c1-9-12(8-17-13-2-3-18-20(9)13)14(21)19-24(22,23)11-4-10(5-15)6-16-7-11/h2-4,6-8H,1H3,(H,19,21)
InChIKeyIBXWAHQZJKZTSM-UHFFFAOYSA-N
XLogP0.42
TPSA130.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate
CID 166332080
N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 167973314
(2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide
CID 166228071
N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166332128
7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82415789
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118786887
5-cyano-N-ethylpyridine-3-sulfonamide
CID 130585950
N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166302285
N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166332112
N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166294683
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 162844227
5-cyanopyridine-3-sulfonamide
CID 119031917

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 167787090) is N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cnc2ccnn12.
What is the InChIKey of N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is IBXWAHQZJKZTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O3S/c1-9-12(8-17-13-2-3-18-20(9)13)14(21)19-24(22,23)11-4-10(5-15)6-16-7-11/h2-4,6-8H,1H3,(H,19,21).
What are the key properties of N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 342.34 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167787090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).