4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine

C26H27F4N7 — CID 10186009

IUPAC4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCN1CCN(CCCNc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)n2)CC1
InChIInChI=1S/C26H27F4N7/c1-35-13-15-36(16-14-35)12-2-10-31-25-32-11-9-21(33-25)23-22-8-5-19(26(28,29)30)17-37(22)34-24(23)18-3-6-20(27)7-4-18/h3-9,11,17H,2,10,12-16H2,1H3,(H,31,32,33)
InChIKeyIMHCMZRQPPACMP-UHFFFAOYSA-N
MW513.54 g/mol
LogP4.67
Rot. Bonds7

About 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (PubChem CID 10186009) has the molecular formula C26H27F4N7 and a molecular weight of 513.54 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
PubChem CID10186009
Molecular FormulaC26H27F4N7
Molecular Weight513.54 g/mol
Exact Mass513.23
IUPAC Name4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCN1CCN(CCCNc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)n2)CC1
InChIInChI=1S/C26H27F4N7/c1-35-13-15-36(16-14-35)12-2-10-31-25-32-11-9-21(33-25)23-22-8-5-19(26(28,29)30)17-37(22)34-24(23)18-3-6-20(27)7-4-18/h3-9,11,17H,2,10,12-16H2,1H3,(H,31,32,33)
InChIKeyIMHCMZRQPPACMP-UHFFFAOYSA-N
XLogP4.67
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine 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 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (CID 10186009) is 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is CN1CCN(CCCNc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)n2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is IMHCMZRQPPACMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F4N7/c1-35-13-15-36(16-14-35)12-2-10-31-25-32-11-9-21(33-25)23-22-8-5-19(26(28,29)30)17-37(22)34-24(23)18-3-6-20(27)7-4-18/h3-9,11,17H,2,10,12-16H2,1H3,(H,31,32,33).
What are the key properties of 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine has a molecular weight of 513.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 10186009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).