2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H21N5O3S — CID 70781783

IUPAC2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cc4n(n3)CCCNC4)ccc2N1
InChIInChI=1S/C17H21N5O3S/c23-17-5-2-12-8-15(3-4-16(12)20-17)26(24,25)19-10-13-9-14-11-18-6-1-7-22(14)21-13/h3-4,8-9,18-19H,1-2,5-7,10-11H2,(H,20,23)
InChIKeyNQQPPJLRYYVNLZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP0.74
Rot. Bonds4

About 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide

2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 70781783) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID70781783
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cc4n(n3)CCCNC4)ccc2N1
InChIInChI=1S/C17H21N5O3S/c23-17-5-2-12-8-15(3-4-16(12)20-17)26(24,25)19-10-13-9-14-11-18-6-1-7-22(14)21-13/h3-4,8-9,18-19H,1-2,5-7,10-11H2,(H,20,23)
InChIKeyNQQPPJLRYYVNLZ-UHFFFAOYSA-N
XLogP0.74
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7586484
N-(2,5-Dimethylphenyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-YL)sulfonyl]piperidine-3-carboxamide
CID 20855616
2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2,3,4-tetrahydro-6-quinolinesulfonamide hydrochloride
CID 70710864
1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide
CID 110200299
2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 8015534
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
N~1~-(4-{[4-(4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidino]sulfonyl}phenyl)propanamide
CID 53165395
N~1~-(4-{[4-(5-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidino]sulfonyl}phenyl)acetamide
CID 53165401
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
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 71890317
6-((6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)sulfonyl)-3,4-dihydroquinolin-2(1H)-one
CID 121170847
N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
CID 58267291

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 70781783) is 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCc3cc4n(n3)CCCNC4)ccc2N1.
What is the InChIKey of 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is NQQPPJLRYYVNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c23-17-5-2-12-8-15(3-4-16(12)20-17)26(24,25)19-10-13-9-14-11-18-6-1-7-22(14)21-13/h3-4,8-9,18-19H,1-2,5-7,10-11H2,(H,20,23).
What are the key properties of 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 70781783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).