[7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C26H29FN6O — CID 91252132

IUPAC[7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1=Nc2ccnn2C(c2ccc(N(C)C)cc2)C1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H29FN6O/c1-18-24(26(34)32-16-14-31(15-17-32)22-10-6-20(27)7-11-22)25(33-23(29-18)12-13-28-33)19-4-8-21(9-5-19)30(2)3/h4-13,24-25H,14-17H2,1-3H3
InChIKeyLGLVXHIASGFLID-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.75
Rot. Bonds4

About [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 91252132) has the molecular formula C26H29FN6O and a molecular weight of 460.56 g/mol. Its IUPAC name is [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID91252132
Molecular FormulaC26H29FN6O
Molecular Weight460.56 g/mol
Exact Mass460.24
IUPAC Name[7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1=Nc2ccnn2C(c2ccc(N(C)C)cc2)C1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H29FN6O/c1-18-24(26(34)32-16-14-31(15-17-32)22-10-6-20(27)7-11-22)25(33-23(29-18)12-13-28-33)19-4-8-21(9-5-19)30(2)3/h4-13,24-25H,14-17H2,1-3H3
InChIKeyLGLVXHIASGFLID-UHFFFAOYSA-N
XLogP3.75
TPSA56.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 91252132) is [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CC1=Nc2ccnn2C(c2ccc(N(C)C)cc2)C1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is LGLVXHIASGFLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O/c1-18-24(26(34)32-16-14-31(15-17-32)22-10-6-20(27)7-11-22)25(33-23(29-18)12-13-28-33)19-4-8-21(9-5-19)30(2)3/h4-13,24-25H,14-17H2,1-3H3.
What are the key properties of [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 460.56 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91252132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).