5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C24H19FN4 — CID 17121149

IUPAC5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)N=C(c1ccc(F)cc1)CC2c1ccncc1
InChIInChI=1S/C24H19FN4/c1-16-23(19-5-3-2-4-6-19)24-27-21(17-7-9-20(25)10-8-17)15-22(29(24)28-16)18-11-13-26-14-12-18/h2-14,22H,15H2,1H3
InChIKeyMYXBCDGDWMEVKL-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.51
Rot. Bonds3

About 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 17121149) has the molecular formula C24H19FN4 and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID17121149
Molecular FormulaC24H19FN4
Molecular Weight382.44 g/mol
Exact Mass382.16
IUPAC Name5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)N=C(c1ccc(F)cc1)CC2c1ccncc1
InChIInChI=1S/C24H19FN4/c1-16-23(19-5-3-2-4-6-19)24-27-21(17-7-9-20(25)10-8-17)15-22(29(24)28-16)18-11-13-26-14-12-18/h2-14,22H,15H2,1H3
InChIKeyMYXBCDGDWMEVKL-UHFFFAOYSA-N
XLogP5.51
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 17121149) is 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1)N=C(c1ccc(F)cc1)CC2c1ccncc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is MYXBCDGDWMEVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4/c1-16-23(19-5-3-2-4-6-19)24-27-21(17-7-9-20(25)10-8-17)15-22(29(24)28-16)18-11-13-26-14-12-18/h2-14,22H,15H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 382.44 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17121149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).