2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide

C18H13F3N6O — CID 146326460

IUPAC2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)nn2c1
InChIInChI=1S/C18H13F3N6O/c1-26-16(22-10-23-26)17(28)24-11-6-7-12-8-15(25-27(12)9-11)13-4-2-3-5-14(13)18(19,20)21/h2-10H,1H3,(H,24,28)
InChIKeyONGGTRAPQXNWNP-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.40
Rot. Bonds3

About 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide

2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 146326460) has the molecular formula C18H13F3N6O and a molecular weight of 386.34 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
PubChem CID146326460
Molecular FormulaC18H13F3N6O
Molecular Weight386.34 g/mol
Exact Mass386.11
IUPAC Name2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)nn2c1
InChIInChI=1S/C18H13F3N6O/c1-26-16(22-10-23-26)17(28)24-11-6-7-12-8-15(25-27(12)9-11)13-4-2-3-5-14(13)18(19,20)21/h2-10H,1H3,(H,24,28)
InChIKeyONGGTRAPQXNWNP-UHFFFAOYSA-N
XLogP3.40
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide (CID 146326460) is 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)nn2c1.
What is the InChIKey of 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is ONGGTRAPQXNWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O/c1-26-16(22-10-23-26)17(28)24-11-6-7-12-8-15(25-27(12)9-11)13-4-2-3-5-14(13)18(19,20)21/h2-10H,1H3,(H,24,28).
What are the key properties of 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 386.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 146326460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).