4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C21H24N4O3 — CID 134258787

IUPAC4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ccc23)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C21H24N4O3/c1-23-8-10-25(11-9-23)20(26)16-5-4-14(12-18(16)28-3)17-13-24(2)21(27)19-15(17)6-7-22-19/h4-7,12-13,22H,8-11H2,1-3H3
InChIKeyVHLYOGPBUWMURX-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.93
Rot. Bonds3

About 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 134258787) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID134258787
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ccc23)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C21H24N4O3/c1-23-8-10-25(11-9-23)20(26)16-5-4-14(12-18(16)28-3)17-13-24(2)21(27)19-15(17)6-7-22-19/h4-7,12-13,22H,8-11H2,1-3H3
InChIKeyVHLYOGPBUWMURX-UHFFFAOYSA-N
XLogP1.93
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334620
6-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen
CID 145081735
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
1,3,4-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one
CID 134258662
6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 171527424
6-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334626
6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one
CID 170020508
[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 25056466
6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
4-[3-(2-methoxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155234476
4-[5-(azetidine-1-carbonyl)-2-methoxyphenyl]-6-[(E)-but-2-enyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121342449
[7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 143094566

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 134258787) is 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is COc1cc(-c2cn(C)c(=O)c3[nH]ccc23)ccc1C(=O)N1CCN(C)CC1.
What is the InChIKey of 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is VHLYOGPBUWMURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-23-8-10-25(11-9-23)20(26)16-5-4-14(12-18(16)28-3)17-13-24(2)21(27)19-15(17)6-7-22-19/h4-7,12-13,22H,8-11H2,1-3H3.
What are the key properties of 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 380.45 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 134258787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).