1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one

C20H21N5O3 — CID 176506109

IUPAC1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)c3cnc4c(c3)ncn4C)C(C)C2=O)c1
InChIInChI=1S/C20H21N5O3/c1-13-19(26)25(15-5-4-6-16(10-15)28-3)8-7-24(13)20(27)14-9-17-18(21-11-14)23(2)12-22-17/h4-6,9-13H,7-8H2,1-3H3
InChIKeyYAVFWZNFMUVJFZ-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.85
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one

1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one (PubChem CID 176506109) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one
PubChem CID176506109
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)c3cnc4c(c3)ncn4C)C(C)C2=O)c1
InChIInChI=1S/C20H21N5O3/c1-13-19(26)25(15-5-4-6-16(10-15)28-3)8-7-24(13)20(27)14-9-17-18(21-11-14)23(2)12-22-17/h4-6,9-13H,7-8H2,1-3H3
InChIKeyYAVFWZNFMUVJFZ-UHFFFAOYSA-N
XLogP1.85
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one with MolForge

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Related Compounds

4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036089
1-(3-methoxyphenyl)-3-methyl-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-2-one
CID 131913529
1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 46995780
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 95130698
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46990759

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one (CID 176506109) is 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one is COc1cccc(N2CCN(C(=O)c3cnc4c(c3)ncn4C)C(C)C2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one?
The InChIKey is YAVFWZNFMUVJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-19(26)25(15-5-4-6-16(10-15)28-3)8-7-24(13)20(27)14-9-17-18(21-11-14)23(2)12-22-17/h4-6,9-13H,7-8H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one?
1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one has a molecular weight of 379.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one is sourced from PubChem (CID 176506109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).