2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide

C20H20ClN3O2 — CID 118736128

IUPAC2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
SMILESCc1ccc(O)c2c3c(nn12)CCC(C)(NC(=O)c1ccccc1Cl)C3
InChIInChI=1S/C20H20ClN3O2/c1-12-7-8-17(25)18-14-11-20(2,10-9-16(14)23-24(12)18)22-19(26)13-5-3-4-6-15(13)21/h3-8,25H,9-11H2,1-2H3,(H,22,26)
InChIKeyZGASTYSRJZSAOT-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.68
Rot. Bonds2

About 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide

2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide (PubChem CID 118736128) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
PubChem CID118736128
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
SMILESCc1ccc(O)c2c3c(nn12)CCC(C)(NC(=O)c1ccccc1Cl)C3
InChIInChI=1S/C20H20ClN3O2/c1-12-7-8-17(25)18-14-11-20(2,10-9-16(14)23-24(12)18)22-19(26)13-5-3-4-6-15(13)21/h3-8,25H,9-11H2,1-2H3,(H,22,26)
InChIKeyZGASTYSRJZSAOT-UHFFFAOYSA-N
XLogP3.68
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide 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-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide
CID 118736129
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 118736130
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(triazol-1-yl)benzamide
CID 118736131
4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
CID 118736125
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 118736134
4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
CID 118736126
4-cyano-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
CID 118736127
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(triazol-2-yl)benzamide
CID 118736132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide (CID 118736128) is 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide is Cc1ccc(O)c2c3c(nn12)CCC(C)(NC(=O)c1ccccc1Cl)C3.
What is the InChIKey of 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
The InChIKey is ZGASTYSRJZSAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-12-7-8-17(25)18-14-11-20(2,10-9-16(14)23-24(12)18)22-19(26)13-5-3-4-6-15(13)21/h3-8,25H,9-11H2,1-2H3,(H,22,26).
What are the key properties of 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide has a molecular weight of 369.85 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide is sourced from PubChem (CID 118736128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).