1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one

C17H15N5O — CID 166202293

IUPAC1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
SMILESCn1ccc2ccn(Cc3cn(-c4ccccc4)nn3)c(=O)c21
InChIInChI=1S/C17H15N5O/c1-20-9-7-13-8-10-21(17(23)16(13)20)11-14-12-22(19-18-14)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyMPKHNEHIHZCCLR-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.97
Rot. Bonds3

About 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one

1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one (PubChem CID 166202293) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
PubChem CID166202293
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
SMILESCn1ccc2ccn(Cc3cn(-c4ccccc4)nn3)c(=O)c21
InChIInChI=1S/C17H15N5O/c1-20-9-7-13-8-10-21(17(23)16(13)20)11-14-12-22(19-18-14)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyMPKHNEHIHZCCLR-UHFFFAOYSA-N
XLogP1.97
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one
CID 71139737
3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one
CID 71139758
3-hydroxy-1-[(1-phenyltriazol-4-yl)methyl]pyridine-2-thione
CID 71139142
3-methoxy-1-[(1-phenyltriazol-4-yl)methyl]pyridine-2-thione
CID 71138910
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
(1-phenyltriazol-4-yl)methylazanium chloride
CID 82018236
4-butyl-1-phenyltriazole
CID 25191665
3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355134
3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 163355154
6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
CID 166367431
N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
CID 101362186

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one (CID 166202293) is 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one is Cn1ccc2ccn(Cc3cn(-c4ccccc4)nn3)c(=O)c21.
What is the InChIKey of 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is MPKHNEHIHZCCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-20-9-7-13-8-10-21(17(23)16(13)20)11-14-12-22(19-18-14)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3.
What are the key properties of 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 305.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166202293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).