(1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

C19H20N8O — CID 162636642

IUPAC(1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccc4ccn(C)c4n3)CC2)n2ncnc2n1
InChIInChI=1S/C19H20N8O/c1-13-11-16(27-19(22-13)20-12-21-27)25-7-9-26(10-8-25)18(28)15-4-3-14-5-6-24(2)17(14)23-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyFYOJCCJRJIWTJP-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.28
Rot. Bonds2

About (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

(1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 162636642) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID162636642
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name(1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccc4ccn(C)c4n3)CC2)n2ncnc2n1
InChIInChI=1S/C19H20N8O/c1-13-11-16(27-19(22-13)20-12-21-27)25-7-9-26(10-8-25)18(28)15-4-3-14-5-6-24(2)17(14)23-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyFYOJCCJRJIWTJP-UHFFFAOYSA-N
XLogP1.28
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 646747
(3,5-dimethylfuran-2-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 136512682
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55601212
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 55853214
(3-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 38014441
(3-bromo-2-hydroxy-5-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 55940834
2-methyl-3-(methylamino)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 119872490
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596320
3-(1-methylpyrazol-4-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 118762066
1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 78870337
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 162636642) is (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccc4ccn(C)c4n3)CC2)n2ncnc2n1.
What is the InChIKey of (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is FYOJCCJRJIWTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-13-11-16(27-19(22-13)20-12-21-27)25-7-9-26(10-8-25)18(28)15-4-3-14-5-6-24(2)17(14)23-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
(1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 376.42 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolo[2,3-b]pyridin-6-yl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 162636642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).