2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C19H14ClF3N4O — CID 149145611

IUPAC2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1ccc(F)c(Cl)n1)N1CCn2ncc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C19H14ClF3N4O/c20-19-15(22)4-2-12(25-19)8-18(28)26-5-6-27-17(10-26)14(9-24-27)13-3-1-11(21)7-16(13)23/h1-4,7,9H,5-6,8,10H2
InChIKeyRKFOFXZJQLQUTR-UHFFFAOYSA-N
MW406.80 g/mol
LogP3.60
Rot. Bonds3

About 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 149145611) has the molecular formula C19H14ClF3N4O and a molecular weight of 406.80 g/mol. Its IUPAC name is 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID149145611
Molecular FormulaC19H14ClF3N4O
Molecular Weight406.80 g/mol
Exact Mass406.08
IUPAC Name2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1ccc(F)c(Cl)n1)N1CCn2ncc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C19H14ClF3N4O/c20-19-15(22)4-2-12(25-19)8-18(28)26-5-6-27-17(10-26)14(9-24-27)13-3-1-11(21)7-16(13)23/h1-4,7,9H,5-6,8,10H2
InChIKeyRKFOFXZJQLQUTR-UHFFFAOYSA-N
XLogP3.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.80
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 137662068
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[4-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 54769529
(3-Chloropyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57394859
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(2,6-difluorophenyl)methanone
CID 44426948
4-[(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-2-carbonitrile
CID 117821319
(9R,13S)-13-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118285729
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268006
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009
(3-chlorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 140268012

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 149145611) is 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is O=C(Cc1ccc(F)c(Cl)n1)N1CCn2ncc(-c3ccc(F)cc3F)c2C1.
What is the InChIKey of 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is RKFOFXZJQLQUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O/c20-19-15(22)4-2-12(25-19)8-18(28)26-5-6-27-17(10-26)14(9-24-27)13-3-1-11(21)7-16(13)23/h1-4,7,9H,5-6,8,10H2.
What are the key properties of 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 406.80 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-fluoro-2-pyridinyl)-1-[3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 149145611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).