1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

C23H16F3N7O2 — CID 138595197

IUPAC1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H16F3N7O2/c1-14-3-2-4-21(29-14)33-19(15-5-10-20-27-13-28-32(20)12-15)11-18(31-33)22(34)30-16-6-8-17(9-7-16)35-23(24,25)26/h2-13H,1H3,(H,30,34)
InChIKeyFKVOJRXZIPLEFC-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.44
Rot. Bonds5

About 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 138595197) has the molecular formula C23H16F3N7O2 and a molecular weight of 479.42 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
PubChem CID138595197
Molecular FormulaC23H16F3N7O2
Molecular Weight479.42 g/mol
Exact Mass479.13
IUPAC Name1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H16F3N7O2/c1-14-3-2-4-21(29-14)33-19(15-5-10-20-27-13-28-32(20)12-15)11-18(31-33)22(34)30-16-6-8-17(9-7-16)35-23(24,25)26/h2-13H,1H3,(H,30,34)
InChIKeyFKVOJRXZIPLEFC-UHFFFAOYSA-N
XLogP4.44
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (CID 138595197) is 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is FKVOJRXZIPLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N7O2/c1-14-3-2-4-21(29-14)33-19(15-5-10-20-27-13-28-32(20)12-15)11-18(31-33)22(34)30-16-6-8-17(9-7-16)35-23(24,25)26/h2-13H,1H3,(H,30,34).
What are the key properties of 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 138595197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).