[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone

C18H15FN4O — CID 167130728

IUPAC[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCn2nc(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C18H15FN4O/c19-15-5-3-13(4-6-15)17-10-16-12-22(8-9-23(16)21-17)18(24)14-2-1-7-20-11-14/h1-7,10-11H,8-9,12H2
InChIKeyFRPPPAMXBKNZJT-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.74
Rot. Bonds2

About [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone

[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone (PubChem CID 167130728) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone
PubChem CID167130728
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCn2nc(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C18H15FN4O/c19-15-5-3-13(4-6-15)17-10-16-12-22(8-9-23(16)21-17)18(24)14-2-1-7-20-11-14/h1-7,10-11H,8-9,12H2
InChIKeyFRPPPAMXBKNZJT-UHFFFAOYSA-N
XLogP2.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 155566645
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 118061988
(3-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 155513245
3-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl)benzonitrile
CID 53165148
(3,4-difluorophenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798837
[2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 155511343
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783641
ethane;(4-fluorophenyl)-[2-[(4-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 144757830
[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 42245741
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 44607977

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone (CID 167130728) is [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCn2nc(-c3ccc(F)cc3)cc2C1.
What is the InChIKey of [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone?
The InChIKey is FRPPPAMXBKNZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-15-5-3-13(4-6-15)17-10-16-12-22(8-9-23(16)21-17)18(24)14-2-1-7-20-11-14/h1-7,10-11H,8-9,12H2.
What are the key properties of [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone?
[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone has a molecular weight of 322.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 167130728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).