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

C25H20F2N4O — CID 167130400

IUPAC(4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C(=O)c2ccc(F)cc2)CC3)ccn1
InChIInChI=1S/C25H20F2N4O/c1-16-14-19(10-11-28-16)23-22-15-30(25(32)18-4-8-21(27)9-5-18)12-13-31(22)29-24(23)17-2-6-20(26)7-3-17/h2-11,14H,12-13,15H2,1H3
InChIKeyCKVDIIBNMMWYOU-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.85
Rot. Bonds3

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

(4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 167130400) has the molecular formula C25H20F2N4O and a molecular weight of 430.46 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID167130400
Molecular FormulaC25H20F2N4O
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name(4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C(=O)c2ccc(F)cc2)CC3)ccn1
InChIInChI=1S/C25H20F2N4O/c1-16-14-19(10-11-28-16)23-22-15-30(25(32)18-4-8-21(27)9-5-18)12-13-31(22)29-24(23)17-2-6-20(26)7-3-17/h2-11,14H,12-13,15H2,1H3
InChIKeyCKVDIIBNMMWYOU-UHFFFAOYSA-N
XLogP4.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 167130400) is (4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C(=O)c2ccc(F)cc2)CC3)ccn1.
What is the InChIKey of (4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is CKVDIIBNMMWYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O/c1-16-14-19(10-11-28-16)23-22-15-30(25(32)18-4-8-21(27)9-5-18)12-13-31(22)29-24(23)17-2-6-20(26)7-3-17/h2-11,14H,12-13,15H2,1H3.
What are the key properties of (4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 430.46 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 167130400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).