5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one

C24H19F5N8O — CID 155214255

IUPAC5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one
SMILESCCC(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccc(=O)n(C(F)F)c3)n3nc(N)nc3c2)cn1
InChIInChI=1S/C24H19F5N8O/c1-2-17(13-3-5-19(31-9-13)24(27,28)29)36-12-16(10-32-36)15-7-18(37-20(8-15)33-23(30)34-37)14-4-6-21(38)35(11-14)22(25)26/h3-12,17,22H,2H2,1H3,(H2,30,34)
InChIKeyBRJVSHPUQWLUSK-UHFFFAOYSA-N
MW530.46 g/mol
LogP4.81
Rot. Bonds6

About 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one

5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one (PubChem CID 155214255) has the molecular formula C24H19F5N8O and a molecular weight of 530.46 g/mol. Its IUPAC name is 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one
PubChem CID155214255
Molecular FormulaC24H19F5N8O
Molecular Weight530.46 g/mol
Exact Mass530.16
IUPAC Name5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one
SMILESCCC(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccc(=O)n(C(F)F)c3)n3nc(N)nc3c2)cn1
InChIInChI=1S/C24H19F5N8O/c1-2-17(13-3-5-19(31-9-13)24(27,28)29)36-12-16(10-32-36)15-7-18(37-20(8-15)33-23(30)34-37)14-4-6-21(38)35(11-14)22(25)26/h3-12,17,22H,2H2,1H3,(H2,30,34)
InChIKeyBRJVSHPUQWLUSK-UHFFFAOYSA-N
XLogP4.81
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one (CID 155214255) is 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one is CCC(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccc(=O)n(C(F)F)c3)n3nc(N)nc3c2)cn1.
What is the InChIKey of 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one?
The InChIKey is BRJVSHPUQWLUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N8O/c1-2-17(13-3-5-19(31-9-13)24(27,28)29)36-12-16(10-32-36)15-7-18(37-20(8-15)33-23(30)34-37)14-4-6-21(38)35(11-14)22(25)26/h3-12,17,22H,2H2,1H3,(H2,30,34).
What are the key properties of 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one?
5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one has a molecular weight of 530.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-7-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-(difluoromethyl)pyridin-2-one is sourced from PubChem (CID 155214255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).