1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone

C15H13Cl2FN2O — CID 22625616

IUPAC1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1cc(-c2nn3c(c2Cl)CCCC3)c(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-8(21)9-6-10(12(18)7-11(9)16)15-14(17)13-4-2-3-5-20(13)19-15/h6-7H,2-5H2,1H3
InChIKeyDZSMGRLTOVWDFG-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.53
Rot. Bonds2

About 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone

1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone (PubChem CID 22625616) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone
PubChem CID22625616
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1cc(-c2nn3c(c2Cl)CCCC3)c(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-8(21)9-6-10(12(18)7-11(9)16)15-14(17)13-4-2-3-5-20(13)19-15/h6-7H,2-5H2,1H3
InChIKeyDZSMGRLTOVWDFG-UHFFFAOYSA-N
XLogP4.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone 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-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol
CID 15456859
3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 117063312
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzoic acid
CID 145267044
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
1-[2-(furan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 14435008
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
[4-chloro-2-fluoro-5-(pyrrolidine-1-carbonyl)phenyl]boronic acid
CID 164892386
3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 134364431
2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzoyl chloride
CID 145267038
1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 15421001
1-(2-chloro-4-fluoro-5-nitrophenyl)ethanone
CID 18314484

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone (CID 22625616) is 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone is CC(=O)c1cc(-c2nn3c(c2Cl)CCCC3)c(F)cc1Cl.
What is the InChIKey of 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone?
The InChIKey is DZSMGRLTOVWDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-8(21)9-6-10(12(18)7-11(9)16)15-14(17)13-4-2-3-5-20(13)19-15/h6-7H,2-5H2,1H3.
What are the key properties of 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone?
1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone has a molecular weight of 327.19 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone is sourced from PubChem (CID 22625616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).