5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide

C25H22N6O2 — CID 170007745

IUPAC5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC=O)nc4c3)cc12)c1ccccc1
InChIInChI=1S/C25H22N6O2/c1-16(17-6-4-3-5-7-17)27-24(33)21-14-30(2)22-9-8-18(12-20(21)22)19-10-11-31-23(13-19)28-25(29-31)26-15-32/h3-16H,1-2H3,(H,27,33)(H,26,29,32)
InChIKeyFRSSCVGSEJDNGA-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.95
Rot. Bonds6

About 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide

5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide (PubChem CID 170007745) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide
PubChem CID170007745
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC=O)nc4c3)cc12)c1ccccc1
InChIInChI=1S/C25H22N6O2/c1-16(17-6-4-3-5-7-17)27-24(33)21-14-30(2)22-9-8-18(12-20(21)22)19-10-11-31-23(13-19)28-25(29-31)26-15-32/h3-16H,1-2H3,(H,27,33)(H,26,29,32)
InChIKeyFRSSCVGSEJDNGA-UHFFFAOYSA-N
XLogP3.95
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[2-[[(E)-3-(dimethylamino)prop-2-enoyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-3-carboxamide
CID 170408864
N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide
CID 170010037
N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 170009816
5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-1-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-3-carboxamide
CID 170408885
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
5-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 170009715
N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30131803
1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
CID 113212714
2-bromo-N-[(1R)-1-phenylethyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701500
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787

Frequently Asked Questions

What is the IUPAC name of 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide?
The IUPAC name of 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide (CID 170007745) is 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide.
What is the SMILES notation for 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide?
The canonical SMILES for 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide is CC(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC=O)nc4c3)cc12)c1ccccc1.
What is the InChIKey of 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide?
The InChIKey is FRSSCVGSEJDNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-16(17-6-4-3-5-7-17)27-24(33)21-14-30(2)22-9-8-18(12-20(21)22)19-10-11-31-23(13-19)28-25(29-31)26-15-32/h3-16H,1-2H3,(H,27,33)(H,26,29,32).
What are the key properties of 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide?
5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide is sourced from PubChem (CID 170007745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).