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

C22H24N4O2S — CID 53165237

IUPAC2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCCn2nc(-c3ccncc3)cc2C1
InChIInChI=1S/C22H24N4O2S/c27-29(28,21-7-6-17-4-1-2-5-19(17)14-21)25-12-3-13-26-20(16-25)15-22(24-26)18-8-10-23-11-9-18/h6-11,14-15H,1-5,12-13,16H2
InChIKeyYPZDNSGIEVTVKL-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.42
Rot. Bonds3

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

2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 53165237) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID53165237
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCCn2nc(-c3ccncc3)cc2C1
InChIInChI=1S/C22H24N4O2S/c27-29(28,21-7-6-17-4-1-2-5-19(17)14-21)25-12-3-13-26-20(16-25)15-22(24-26)18-8-10-23-11-9-18/h6-11,14-15H,1-5,12-13,16H2
InChIKeyYPZDNSGIEVTVKL-UHFFFAOYSA-N
XLogP3.42
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine 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

4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinoline-6-sulfonic acid amide
CID 118660675
2,3-dimethyl-4-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490564
2,3-dimethyl-4-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490568
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570
3-[4-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490574
4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490599
3-[3-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490617
4-methyl-3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490641
2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490660
3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490671
3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490686
4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490711

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 53165237) is 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCCn2nc(-c3ccncc3)cc2C1.
What is the InChIKey of 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is YPZDNSGIEVTVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c27-29(28,21-7-6-17-4-1-2-5-19(17)14-21)25-12-3-13-26-20(16-25)15-22(24-26)18-8-10-23-11-9-18/h6-11,14-15H,1-5,12-13,16H2.
What are the key properties of 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 408.53 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 53165237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).