N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide

C17H18N8O — CID 156585119

IUPACN-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(-c2ccc3ccn(C)c3n2)n(-c2ccnn2C)n1
InChIInChI=1S/C17H18N8O/c1-18-14(26)10-13-21-17(25(22-13)15-6-8-19-24(15)3)12-5-4-11-7-9-23(2)16(11)20-12/h4-9H,10H2,1-3H3,(H,18,26)
InChIKeyGMIGKWRPCGQASX-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.84
Rot. Bonds4

About N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide

N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 156585119) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID156585119
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(-c2ccc3ccn(C)c3n2)n(-c2ccnn2C)n1
InChIInChI=1S/C17H18N8O/c1-18-14(26)10-13-21-17(25(22-13)15-6-8-19-24(15)3)12-5-4-11-7-9-23(2)16(11)20-12/h4-9H,10H2,1-3H3,(H,18,26)
InChIKeyGMIGKWRPCGQASX-UHFFFAOYSA-N
XLogP0.84
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(1,3-benzothiazol-7-yl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid
CID 163340605
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038175
2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 138386353
2-[5-(2-amino-1,3-benzothiazol-5-yl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 146040606
N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide
CID 138384694
2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146045119
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CID 155505274
2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146040047
2-[1-[(1R,2R)-2-hydroxycyclohexyl]-5-imidazo[1,2-b]pyridazin-3-yl-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146045389
2-[1-benzyl-5-(1-tert-butylpyrrol-3-yl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 157019331
1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole
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2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide (CID 156585119) is N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide is CNC(=O)Cc1nc(-c2ccc3ccn(C)c3n2)n(-c2ccnn2C)n1.
What is the InChIKey of N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is GMIGKWRPCGQASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-18-14(26)10-13-21-17(25(22-13)15-6-8-19-24(15)3)12-5-4-11-7-9-23(2)16(11)20-12/h4-9H,10H2,1-3H3,(H,18,26).
What are the key properties of N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 350.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 156585119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).