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

C23H20FN5O — CID 136626673

IUPAC2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]c(-c3nc4n(n3)CCCC4c3ccc(F)cc3C)cc12
InChIInChI=1S/C23H20FN5O/c1-13-10-15(24)6-7-16(13)17-4-3-9-29-23(17)27-22(28-29)20-11-18-19(26-20)8-5-14(12-25)21(18)30-2/h5-8,10-11,17,26H,3-4,9H2,1-2H3
InChIKeyFOPPSCNSHAZUGU-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.68
Rot. Bonds3

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

2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile (PubChem CID 136626673) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
PubChem CID136626673
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]c(-c3nc4n(n3)CCCC4c3ccc(F)cc3C)cc12
InChIInChI=1S/C23H20FN5O/c1-13-10-15(24)6-7-16(13)17-4-3-9-29-23(17)27-22(28-29)20-11-18-19(26-20)8-5-14(12-25)21(18)30-2/h5-8,10-11,17,26H,3-4,9H2,1-2H3
InChIKeyFOPPSCNSHAZUGU-UHFFFAOYSA-N
XLogP4.68
TPSA79.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The IUPAC name of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile (CID 136626673) is 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The canonical SMILES for 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile is COc1c(C#N)ccc2[nH]c(-c3nc4n(n3)CCCC4c3ccc(F)cc3C)cc12.
What is the InChIKey of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The InChIKey is FOPPSCNSHAZUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-13-10-15(24)6-7-16(13)17-4-3-9-29-23(17)27-22(28-29)20-11-18-19(26-20)8-5-14(12-25)21(18)30-2/h5-8,10-11,17,26H,3-4,9H2,1-2H3.
What are the key properties of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile has a molecular weight of 401.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile is sourced from PubChem (CID 136626673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).