7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile

C24H25N5O — CID 91535461

IUPAC7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
SMILESCc1c(C#N)c(=O)n2nc(C(C)C)nc2c1=CC=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C24H25N5O/c1-14(2)21-26-22-16(15(3)17(13-25)23(30)29(22)27-21)11-12-20-24(4,5)18-9-7-8-10-19(18)28(20)6/h7-12,14H,1-6H3
InChIKeyXNYLWXGBDZSPLG-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.20
Rot. Bonds2

About 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile

7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 91535461) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID91535461
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
SMILESCc1c(C#N)c(=O)n2nc(C(C)C)nc2c1=CC=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C24H25N5O/c1-14(2)21-26-22-16(15(3)17(13-25)23(30)29(22)27-21)11-12-20-24(4,5)18-9-7-8-10-19(18)28(20)6/h7-12,14H,1-6H3
InChIKeyXNYLWXGBDZSPLG-UHFFFAOYSA-N
XLogP3.20
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile (CID 91535461) is 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile is Cc1c(C#N)c(=O)n2nc(C(C)C)nc2c1=CC=C1N(C)c2ccccc2C1(C)C.
What is the InChIKey of 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is XNYLWXGBDZSPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-14(2)21-26-22-16(15(3)17(13-25)23(30)29(22)27-21)11-12-20-24(4,5)18-9-7-8-10-19(18)28(20)6/h7-12,14H,1-6H3.
What are the key properties of 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 399.50 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxo-2-propan-2-yl-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 91535461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).