[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone

C17H24N6O3S — CID 91629543

IUPAC[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCc1nc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cn1C
InChIInChI=1S/C17H24N6O3S/c1-13-18-16(12-20(13)2)27(25,26)22-9-7-21(8-10-22)17(24)15-11-14-5-3-4-6-23(14)19-15/h11-12H,3-10H2,1-2H3
InChIKeyFHSZAJOQGBIFOS-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.41
Rot. Bonds3

About [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone

[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 91629543) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID91629543
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC Name[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCc1nc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cn1C
InChIInChI=1S/C17H24N6O3S/c1-13-18-16(12-20(13)2)27(25,26)22-9-7-21(8-10-22)17(24)15-11-14-5-3-4-6-23(14)19-15/h11-12H,3-10H2,1-2H3
InChIKeyFHSZAJOQGBIFOS-UHFFFAOYSA-N
XLogP0.41
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 120873149
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122054419
[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 91629488
3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 120873146
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propanoic acid
CID 62311267
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 82652358
(E)-1-[4-(1,2-dimethylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 117054934
N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332114
5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 121170841
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63341210
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 53165405

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone (CID 91629543) is [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone is Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cn1C.
What is the InChIKey of [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is FHSZAJOQGBIFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-13-18-16(12-20(13)2)27(25,26)22-9-7-21(8-10-22)17(24)15-11-14-5-3-4-6-23(14)19-15/h11-12H,3-10H2,1-2H3.
What are the key properties of [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 392.49 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 91629543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).