[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone

C20H10ClF4N3O — CID 141356032

IUPAC[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cccc(F)c2)c2ncccc21
InChIInChI=1S/C20H10ClF4N3O/c21-14-7-2-6-13(20(23,24)25)16(14)19(29)28-15-8-3-9-26-18(15)17(27-28)11-4-1-5-12(22)10-11/h1-10H
InChIKeyWPYNUWICMJZFMC-UHFFFAOYSA-N
MW419.77 g/mol
LogP5.60
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone

[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone (PubChem CID 141356032) has the molecular formula C20H10ClF4N3O and a molecular weight of 419.77 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone
PubChem CID141356032
Molecular FormulaC20H10ClF4N3O
Molecular Weight419.77 g/mol
Exact Mass419.04
IUPAC Name[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cccc(F)c2)c2ncccc21
InChIInChI=1S/C20H10ClF4N3O/c21-14-7-2-6-13(20(23,24)25)16(14)19(29)28-15-8-3-9-26-18(15)17(27-28)11-4-1-5-12(22)10-11/h1-10H
InChIKeyWPYNUWICMJZFMC-UHFFFAOYSA-N
XLogP5.60
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.77
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridin-3-yl]-5-fluorobenzoic acid
CID 88920186
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridin-3-yl]-2,5-difluorobenzoic acid
CID 88920221
[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone
CID 141356037
[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone
CID 141356028
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-pyrimidin-2-ylindazol-3-yl]benzoic acid
CID 73295762
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]-3-fluorobenzoic acid
CID 88920218
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-d]pyrimidin-3-yl]-3-fluorobenzoic acid
CID 155538306
1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-iodopyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 90039656
[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane
CID 144574802
3-[1-(2,6-dichlorobenzoyl)-6-fluoroindazol-3-yl]benzoic acid
CID 140694937
5-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4,5,6,7-tetrahydroindazol-3-yl]pyridine-2-carboxylic acid
CID 122454837
(3-bromo-5-methylpyrazolo[4,3-b]pyridin-1-yl)-[2-chloro-6-(trifluoromethyl)phenyl]methanone
CID 90041793

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone (CID 141356032) is [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone is O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cccc(F)c2)c2ncccc21.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone?
The InChIKey is WPYNUWICMJZFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF4N3O/c21-14-7-2-6-13(20(23,24)25)16(14)19(29)28-15-8-3-9-26-18(15)17(27-28)11-4-1-5-12(22)10-11/h1-10H.
What are the key properties of [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone?
[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone has a molecular weight of 419.77 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone is sourced from PubChem (CID 141356032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).