3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide

C24H21F3N6O — CID 11619667

IUPAC3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3cccc(C(F)(F)F)c3)nn2c1
InChIInChI=1S/C24H21F3N6O/c1-32(2)22(34)15-6-9-19-20(18-10-11-28-23(30-18)29-17-7-8-17)21(31-33(19)13-15)14-4-3-5-16(12-14)24(25,26)27/h3-6,9-13,17H,7-8H2,1-2H3,(H,28,29,30)
InChIKeyIPRSMLHXYCVNOZ-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.75
Rot. Bonds5

About 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide

3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 11619667) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID11619667
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3cccc(C(F)(F)F)c3)nn2c1
InChIInChI=1S/C24H21F3N6O/c1-32(2)22(34)15-6-9-19-20(18-10-11-28-23(30-18)29-17-7-8-17)21(31-33(19)13-15)14-4-3-5-16(12-14)24(25,26)27/h3-6,9-13,17H,7-8H2,1-2H3,(H,28,29,30)
InChIKeyIPRSMLHXYCVNOZ-UHFFFAOYSA-N
XLogP4.75
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 11619667) is 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide is CN(C)C(=O)c1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3cccc(C(F)(F)F)c3)nn2c1.
What is the InChIKey of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is IPRSMLHXYCVNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-32(2)22(34)15-6-9-19-20(18-10-11-28-23(30-18)29-17-7-8-17)21(31-33(19)13-15)14-4-3-5-16(12-14)24(25,26)27/h3-6,9-13,17H,7-8H2,1-2H3,(H,28,29,30).
What are the key properties of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide?
3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 11619667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).