4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile

C23H18F3N5O — CID 136626667

IUPAC4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]c(-c3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C23H18F3N5O/c1-32-20-13(12-27)8-9-18-16(20)11-19(28-18)21-29-22-15(6-4-10-31(22)30-21)14-5-2-3-7-17(14)23(24,25)26/h2-3,5,7-9,11,15,28H,4,6,10H2,1H3
InChIKeyMVLQSAIIKQCXDH-UHFFFAOYSA-N
MW437.43 g/mol
LogP5.25
Rot. Bonds3

About 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile

4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile (PubChem CID 136626667) has the molecular formula C23H18F3N5O and a molecular weight of 437.43 g/mol. Its IUPAC name is 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile
PubChem CID136626667
Molecular FormulaC23H18F3N5O
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]c(-c3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C23H18F3N5O/c1-32-20-13(12-27)8-9-18-16(20)11-19(28-18)21-29-22-15(6-4-10-31(22)30-21)14-5-2-3-7-17(14)23(24,25)26/h2-3,5,7-9,11,15,28H,4,6,10H2,1H3
InChIKeyMVLQSAIIKQCXDH-UHFFFAOYSA-N
XLogP5.25
TPSA79.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile (CID 136626667) is 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile is COc1c(C#N)ccc2[nH]c(-c3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)cc12.
What is the InChIKey of 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile?
The InChIKey is MVLQSAIIKQCXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O/c1-32-20-13(12-27)8-9-18-16(20)11-19(28-18)21-29-22-15(6-4-10-31(22)30-21)14-5-2-3-7-17(14)23(24,25)26/h2-3,5,7-9,11,15,28H,4,6,10H2,1H3.
What are the key properties of 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile?
4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile has a molecular weight of 437.43 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 136626667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).