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

C24H25FN4O — CID 134808576

IUPAC(4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1nn2c(c1-c1ccccc1N1CCCC1)N(C(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C24H25FN4O/c1-17-22(20-7-2-3-8-21(20)27-13-4-5-14-27)23-28(15-6-16-29(23)26-17)24(30)18-9-11-19(25)12-10-18/h2-3,7-12H,4-6,13-16H2,1H3
InChIKeyFKDQSPZYNZZMPC-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.65
Rot. Bonds3

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

(4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 134808576) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID134808576
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name(4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1nn2c(c1-c1ccccc1N1CCCC1)N(C(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C24H25FN4O/c1-17-22(20-7-2-3-8-21(20)27-13-4-5-14-27)23-28(15-6-16-29(23)26-17)24(30)18-9-11-19(25)12-10-18/h2-3,7-12H,4-6,13-16H2,1H3
InChIKeyFKDQSPZYNZZMPC-UHFFFAOYSA-N
XLogP4.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 134808576) is (4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is Cc1nn2c(c1-c1ccccc1N1CCCC1)N(C(=O)c1ccc(F)cc1)CCC2.
What is the InChIKey of (4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is FKDQSPZYNZZMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-17-22(20-7-2-3-8-21(20)27-13-4-5-14-27)23-28(15-6-16-29(23)26-17)24(30)18-9-11-19(25)12-10-18/h2-3,7-12H,4-6,13-16H2,1H3.
What are the key properties of (4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
(4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 404.49 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 134808576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).