2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide

C16H19N5O3S — CID 70710864

IUPAC2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cc4n(n3)CCNC4)ccc2N1
InChIInChI=1S/C16H19N5O3S/c22-16-4-1-11-7-14(2-3-15(11)19-16)25(23,24)18-9-12-8-13-10-17-5-6-21(13)20-12/h2-3,7-8,17-18H,1,4-6,9-10H2,(H,19,22)
InChIKeyNPOWUJGIDIBCEH-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.35
Rot. Bonds4

About 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide

2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 70710864) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID70710864
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cc4n(n3)CCNC4)ccc2N1
InChIInChI=1S/C16H19N5O3S/c22-16-4-1-11-7-14(2-3-15(11)19-16)25(23,24)18-9-12-8-13-10-17-5-6-21(13)20-12/h2-3,7-8,17-18H,1,4-6,9-10H2,(H,19,22)
InChIKeyNPOWUJGIDIBCEH-UHFFFAOYSA-N
XLogP0.35
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethyl-5,5-dioxidopyrazolo[4,3-c][1,2]benzothiazin-2(4h)-yl)-N-phenylacetamide
CID 76330798
2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7586484
1-(4-Sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-c]quinoline-3-carboxamide
CID 135486215
2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 70781783
4-(3-methyl-4-oxo-5H-pyrazolo[4,5-c]quinolin-1-yl)benzenesulfonamide
CID 136136558
2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 8015534
US9156811, Ddd71637
CID 16303962
1-acetyl-5-(pyrrolidine-1-sulfonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 20956474
4-[(propylamino)sulfonyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70713595
N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide hydrochloride
CID 70716810
11-oxo-N-({4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}methyl)-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 91629722
N-{[5-(4-Acetamidobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}-N-phenylacetamide
CID 53019179

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 70710864) is 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCc3cc4n(n3)CCNC4)ccc2N1.
What is the InChIKey of 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is NPOWUJGIDIBCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c22-16-4-1-11-7-14(2-3-15(11)19-16)25(23,24)18-9-12-8-13-10-17-5-6-21(13)20-12/h2-3,7-8,17-18H,1,4-6,9-10H2,(H,19,22).
What are the key properties of 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 361.43 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 70710864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).