1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone

C17H17N7O — CID 58976577

IUPAC1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(Nc3nc(N)n(-c4ccccn4)n3)c21
InChIInChI=1S/C17H17N7O/c1-11(25)23-10-8-12-5-4-6-13(15(12)23)20-17-21-16(18)24(22-17)14-7-2-3-9-19-14/h2-7,9H,8,10H2,1H3,(H3,18,20,21,22)
InChIKeyZAZQDDOIGCWNIE-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.90
Rot. Bonds3

About 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone

1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 58976577) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID58976577
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(Nc3nc(N)n(-c4ccccn4)n3)c21
InChIInChI=1S/C17H17N7O/c1-11(25)23-10-8-12-5-4-6-13(15(12)23)20-17-21-16(18)24(22-17)14-7-2-3-9-19-14/h2-7,9H,8,10H2,1H3,(H3,18,20,21,22)
InChIKeyZAZQDDOIGCWNIE-UHFFFAOYSA-N
XLogP1.90
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56595688
3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 12052664
[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 58976629
3-N-isoquinolin-4-yl-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 12052668
3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 12052666
3-N-(4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976428
3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976216
3-N-(5-chloro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976622
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
CID 112537187
1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 167515237
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone (CID 58976577) is 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cccc(Nc3nc(N)n(-c4ccccn4)n3)c21.
What is the InChIKey of 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZAZQDDOIGCWNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11(25)23-10-8-12-5-4-6-13(15(12)23)20-17-21-16(18)24(22-17)14-7-2-3-9-19-14/h2-7,9H,8,10H2,1H3,(H3,18,20,21,22).
What are the key properties of 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 335.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 58976577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).