6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C26H32N4O4 — CID 171527424

IUPAC6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCCn1cc(-c2cc(OC)c(C(=O)N3CCN(CC)CC3)cc2OC)c2cc[nH]c2c1=O
InChIInChI=1S/C26H32N4O4/c1-5-7-10-30-17-21(18-8-9-27-24(18)26(30)32)19-15-23(34-4)20(16-22(19)33-3)25(31)29-13-11-28(6-2)12-14-29/h5,8-9,15-17,27H,1,6-7,10-14H2,2-4H3
InChIKeyVMWDCBIIPKHTRX-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.37
Rot. Bonds8

About 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171527424) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID171527424
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCCn1cc(-c2cc(OC)c(C(=O)N3CCN(CC)CC3)cc2OC)c2cc[nH]c2c1=O
InChIInChI=1S/C26H32N4O4/c1-5-7-10-30-17-21(18-8-9-27-24(18)26(30)32)19-15-23(34-4)20(16-22(19)33-3)25(31)29-13-11-28(6-2)12-14-29/h5,8-9,15-17,27H,1,6-7,10-14H2,2-4H3
InChIKeyVMWDCBIIPKHTRX-UHFFFAOYSA-N
XLogP3.37
TPSA79.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-but-3-enyl-4-[6-(4-iodopiperazine-1-carbonyl)-1-methylbenzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 170576468
4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 134258787
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189
4-[5-(azetidine-1-carbonyl)-2-methoxyphenyl]-6-[(E)-but-2-enyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121342449
[4-(6-but-3-enyl-7-cyclobutylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-2,5-dimethoxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 176970226
(4-ethylpiperazin-1-yl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 95970589
6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121335288
2-ethyl-6,7-dimethoxy-4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 71565998
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]acetamide
CID 110764459
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
(5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone
CID 19013302

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 171527424) is 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is C=CCCn1cc(-c2cc(OC)c(C(=O)N3CCN(CC)CC3)cc2OC)c2cc[nH]c2c1=O.
What is the InChIKey of 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is VMWDCBIIPKHTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-5-7-10-30-17-21(18-8-9-27-24(18)26(30)32)19-15-23(34-4)20(16-22(19)33-3)25(31)29-13-11-28(6-2)12-14-29/h5,8-9,15-17,27H,1,6-7,10-14H2,2-4H3.
What are the key properties of 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 464.57 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171527424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).