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

C19H16F2N4O — CID 155547194

IUPAC(3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cc(F)cc(C(=O)N2CCn3nc(-c4ccc(F)cn4)cc3C2)c1
InChIInChI=1S/C19H16F2N4O/c1-12-6-13(8-15(21)7-12)19(26)24-4-5-25-16(11-24)9-18(23-25)17-3-2-14(20)10-22-17/h2-3,6-10H,4-5,11H2,1H3
InChIKeyNPNAYGNWJAHRCZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.19
Rot. Bonds2

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

(3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 155547194) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID155547194
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name(3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cc(F)cc(C(=O)N2CCn3nc(-c4ccc(F)cn4)cc3C2)c1
InChIInChI=1S/C19H16F2N4O/c1-12-6-13(8-15(21)7-12)19(26)24-4-5-25-16(11-24)9-18(23-25)17-3-2-14(20)10-22-17/h2-3,6-10H,4-5,11H2,1H3
InChIKeyNPNAYGNWJAHRCZ-UHFFFAOYSA-N
XLogP3.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 155547194) is (3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cc1cc(F)cc(C(=O)N2CCn3nc(-c4ccc(F)cn4)cc3C2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is NPNAYGNWJAHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-12-6-13(8-15(21)7-12)19(26)24-4-5-25-16(11-24)9-18(23-25)17-3-2-14(20)10-22-17/h2-3,6-10H,4-5,11H2,1H3.
What are the key properties of (3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 354.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 155547194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).