1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

C19H17N5OS — CID 53165178

IUPAC1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCn2nc(-c3cccs3)cc2C1
InChIInChI=1S/C19H17N5OS/c25-19(18-14-5-1-2-6-15(14)20-21-18)23-8-4-9-24-13(12-23)11-16(22-24)17-7-3-10-26-17/h1-3,5-7,10-11H,4,8-9,12H2,(H,20,21)
InChIKeyHLSJDDCDSLBFCG-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.53
Rot. Bonds2

About 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (PubChem CID 53165178) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
PubChem CID53165178
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCn2nc(-c3cccs3)cc2C1
InChIInChI=1S/C19H17N5OS/c25-19(18-14-5-1-2-6-15(14)20-21-18)23-8-4-9-24-13(12-23)11-16(22-24)17-7-3-10-26-17/h1-3,5-7,10-11H,4,8-9,12H2,(H,20,21)
InChIKeyHLSJDDCDSLBFCG-UHFFFAOYSA-N
XLogP3.53
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (CID 53165178) is 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCCn2nc(-c3cccs3)cc2C1.
What is the InChIKey of 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The InChIKey is HLSJDDCDSLBFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c25-19(18-14-5-1-2-6-15(14)20-21-18)23-8-4-9-24-13(12-23)11-16(22-24)17-7-3-10-26-17/h1-3,5-7,10-11H,4,8-9,12H2,(H,20,21).
What are the key properties of 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone has a molecular weight of 363.45 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is sourced from PubChem (CID 53165178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).