2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C18H17FN4O2S — CID 53186382

IUPAC2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESO=S(=O)(c1cccnc1)N1CCCn2nc(-c3cccc(F)c3)cc2C1
InChIInChI=1S/C18H17FN4O2S/c19-15-5-1-4-14(10-15)18-11-16-13-22(8-3-9-23(16)21-18)26(24,25)17-6-2-7-20-12-17/h1-2,4-7,10-12H,3,8-9,13H2
InChIKeySTPQDHZWQVLWQX-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.68
Rot. Bonds3

About 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 53186382) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID53186382
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESO=S(=O)(c1cccnc1)N1CCCn2nc(-c3cccc(F)c3)cc2C1
InChIInChI=1S/C18H17FN4O2S/c19-15-5-1-4-14(10-15)18-11-16-13-22(8-3-9-23(16)21-18)26(24,25)17-6-2-7-20-12-17/h1-2,4-7,10-12H,3,8-9,13H2
InChIKeySTPQDHZWQVLWQX-UHFFFAOYSA-N
XLogP2.68
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-Tert-butyl-3-pyridinyl)sulfonyl]-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11497883
1-[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11525591
1-[(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11533163
(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454938
(4aS)-1-(4-fluorophenyl)-6-(2-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454942
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 25172271
4-(4-Butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355561
4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 19355820
N-[{1-(4-Fluorophenyl)-5-isobutyl-1H-pyrazol-3-yl}methyl]quinoline-8-sulfonamide
CID 118512804
1-[4-(1H-Pyrazol-1-YL)benzenesulfonyl]-1,2,3,4-tetrahydroquinoline
CID 2815513
3-(2-Fluorophenyl)-5-methyl-2-pyridin-3-ylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168281560
1,3-dimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 29089490

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 53186382) is 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is O=S(=O)(c1cccnc1)N1CCCn2nc(-c3cccc(F)c3)cc2C1.
What is the InChIKey of 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is STPQDHZWQVLWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-15-5-1-4-14(10-15)18-11-16-13-22(8-3-9-23(16)21-18)26(24,25)17-6-2-7-20-12-17/h1-2,4-7,10-12H,3,8-9,13H2.
What are the key properties of 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 372.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-pyridin-3-ylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 53186382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).