4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

C25H24ClF3N6O — CID 10164799

IUPAC4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccc2c(-c3ccnc(NCCCN4CCOCC4)n3)c(-c3cccc(Cl)c3)nn2c1
InChIInChI=1S/C25H24ClF3N6O/c26-19-4-1-3-17(15-19)23-22(21-6-5-18(25(27,28)29)16-35(21)33-23)20-7-9-31-24(32-20)30-8-2-10-34-11-13-36-14-12-34/h1,3-7,9,15-16H,2,8,10-14H2,(H,30,31,32)
InChIKeyXIUALAVAPLGUOY-UHFFFAOYSA-N
MW516.96 g/mol
LogP5.26
Rot. Bonds7

About 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 10164799) has the molecular formula C25H24ClF3N6O and a molecular weight of 516.96 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID10164799
Molecular FormulaC25H24ClF3N6O
Molecular Weight516.96 g/mol
Exact Mass516.17
IUPAC Name4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccc2c(-c3ccnc(NCCCN4CCOCC4)n3)c(-c3cccc(Cl)c3)nn2c1
InChIInChI=1S/C25H24ClF3N6O/c26-19-4-1-3-17(15-19)23-22(21-6-5-18(25(27,28)29)16-35(21)33-23)20-7-9-31-24(32-20)30-8-2-10-34-11-13-36-14-12-34/h1,3-7,9,15-16H,2,8,10-14H2,(H,30,31,32)
InChIKeyXIUALAVAPLGUOY-UHFFFAOYSA-N
XLogP5.26
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.96
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 10164799) is 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is FC(F)(F)c1ccc2c(-c3ccnc(NCCCN4CCOCC4)n3)c(-c3cccc(Cl)c3)nn2c1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is XIUALAVAPLGUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N6O/c26-19-4-1-3-17(15-19)23-22(21-6-5-18(25(27,28)29)16-35(21)33-23)20-7-9-31-24(32-20)30-8-2-10-34-11-13-36-14-12-34/h1,3-7,9,15-16H,2,8,10-14H2,(H,30,31,32).
What are the key properties of 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 516.96 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 10164799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).