2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide

C17H13ClN6O — CID 166581338

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C17H13ClN6O/c18-12-1-2-13-11(9-20-14(13)8-12)7-15(25)21-17-22-16(23-24-17)10-3-5-19-6-4-10/h1-6,8-9,20H,7H2,(H2,21,22,23,24,25)
InChIKeyMYLVPWNKPSAAOY-UHFFFAOYSA-N
MW352.79 g/mol
LogP3.18
Rot. Bonds4

About 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 166581338) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID166581338
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C17H13ClN6O/c18-12-1-2-13-11(9-20-14(13)8-12)7-15(25)21-17-22-16(23-24-17)10-3-5-19-6-4-10/h1-6,8-9,20H,7H2,(H2,21,22,23,24,25)
InChIKeyMYLVPWNKPSAAOY-UHFFFAOYSA-N
XLogP3.18
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 166625781
3-(6-Chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
CID 118727275
3-(1H-indol-3-yl)-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione
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CID 118713557
[3-(1H-indol-3-yl)-2,5-dioxo-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrol-1-yl]urea
CID 136224197
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 171356127
3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
CID 177371379
1-[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(1H-indol-3-yl)-1-ethanone
CID 53192133
2-(1H-Indol-3-YL)-1-[2-(4-methyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 87052091
1-{4-[3-(4-Chlorophenyl)-1H-pyrazol-5-YL]-1,4-diazepan-1-YL}-2-(1H-indol-3-YL)ethan-1-one
CID 91887608
3-[1-benzylindol-3-yl]-N-[5-(trifluoromethyl)(1H-1,2,4-triazol-3-yl)]propanami de
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US10940139, Example 02471
CID 47037790

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 166581338) is 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide is O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1n[nH]c(-c2ccncc2)n1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is MYLVPWNKPSAAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c18-12-1-2-13-11(9-20-14(13)8-12)7-15(25)21-17-22-16(23-24-17)10-3-5-19-6-4-10/h1-6,8-9,20H,7H2,(H2,21,22,23,24,25).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 352.79 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 166581338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).