1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

C23H20F3N7O — CID 90383124

IUPAC1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H20F3N7O/c1-32-20(16(13-27-32)17-8-5-9-18(29-17)23(24,25)26)22(34)28-15-10-11-33-19(12-15)30-21(31-33)14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3,(H,28,34)
InChIKeyQXHDOGUGAFQZML-UHFFFAOYSA-N
MW467.46 g/mol
LogP3.50
Rot. Bonds4

About 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (PubChem CID 90383124) has the molecular formula C23H20F3N7O and a molecular weight of 467.46 g/mol. Its IUPAC name is 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
PubChem CID90383124
Molecular FormulaC23H20F3N7O
Molecular Weight467.46 g/mol
Exact Mass467.17
IUPAC Name1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H20F3N7O/c1-32-20(16(13-27-32)17-8-5-9-18(29-17)23(24,25)26)22(34)28-15-10-11-33-19(12-15)30-21(31-33)14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3,(H,28,34)
InChIKeyQXHDOGUGAFQZML-UHFFFAOYSA-N
XLogP3.50
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (CID 90383124) is 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1.
What is the InChIKey of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is QXHDOGUGAFQZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O/c1-32-20(16(13-27-32)17-8-5-9-18(29-17)23(24,25)26)22(34)28-15-10-11-33-19(12-15)30-21(31-33)14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3,(H,28,34).
What are the key properties of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 467.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).