4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide

C29H26N6O — CID 70929920

IUPAC4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCC1CNc2ccccc21)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C29H26N6O/c36-28(30-18-17-22-19-31-25-10-5-4-9-24(22)25)21-15-13-20(14-16-21)26-11-6-12-27-33-29(34-35(26)27)32-23-7-2-1-3-8-23/h1-16,22,31H,17-19H2,(H,30,36)(H,32,34)
InChIKeyLMYHMHGQJWAFPJ-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.47
Rot. Bonds7

About 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide

4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide (PubChem CID 70929920) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide
PubChem CID70929920
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCC1CNc2ccccc21)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C29H26N6O/c36-28(30-18-17-22-19-31-25-10-5-4-9-24(22)25)21-15-13-20(14-16-21)26-11-6-12-27-33-29(34-35(26)27)32-23-7-2-1-3-8-23/h1-16,22,31H,17-19H2,(H,30,36)(H,32,34)
InChIKeyLMYHMHGQJWAFPJ-UHFFFAOYSA-N
XLogP5.47
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide (CID 70929920) is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide is O=C(NCCC1CNc2ccccc21)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1.
What is the InChIKey of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is LMYHMHGQJWAFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c36-28(30-18-17-22-19-31-25-10-5-4-9-24(22)25)21-15-13-20(14-16-21)26-11-6-12-27-33-29(34-35(26)27)32-23-7-2-1-3-8-23/h1-16,22,31H,17-19H2,(H,30,36)(H,32,34).
What are the key properties of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide?
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 474.57 g/mol, XLogP of 5.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 70929920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).