8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

C23H25N5O2 — CID 2031324

IUPAC8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
SMILESCCOc1ccc2[nH]c3c(N4CCN(c5ccccc5OC)CC4)ncnc3c2c1
InChIInChI=1S/C23H25N5O2/c1-3-30-16-8-9-18-17(14-16)21-22(26-18)23(25-15-24-21)28-12-10-27(11-13-28)19-6-4-5-7-20(19)29-2/h4-9,14-15,26H,3,10-13H2,1-2H3
InChIKeySGRDYXWGRDYEQH-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.85
Rot. Bonds5

About 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole (PubChem CID 2031324) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole.

Molecular Properties

Compound Name8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
PubChem CID2031324
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
SMILESCCOc1ccc2[nH]c3c(N4CCN(c5ccccc5OC)CC4)ncnc3c2c1
InChIInChI=1S/C23H25N5O2/c1-3-30-16-8-9-18-17(14-16)21-22(26-18)23(25-15-24-21)28-12-10-27(11-13-28)19-6-4-5-7-20(19)29-2/h4-9,14-15,26H,3,10-13H2,1-2H3
InChIKeySGRDYXWGRDYEQH-UHFFFAOYSA-N
XLogP3.85
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole
CID 2030227
(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
CID 940941
8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 3798373
4-[4-(3-methoxyphenyl)piperazin-1-yl]-8-methyl-5H-pyrimido[5,4-b]indole
CID 3851961
7,8-dimethoxy-4-pyrrolidin-1-yl-5H-pyrimido[5,4-b]indole
CID 942038
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 46395851
4-[4-[3-(fluoromethyl)phenyl]piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole
CID 70992721
4-(4-ethylpiperazin-4-ium-1-yl)-7-methoxy-5H-pyrimido[5,4-b]indole
CID 7506397
4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 110874996
8-bromo-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 3846847
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
8-fluoro-4-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 6582356

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole?
The IUPAC name of 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole (CID 2031324) is 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole.
What is the SMILES notation for 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole?
The canonical SMILES for 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole is CCOc1ccc2[nH]c3c(N4CCN(c5ccccc5OC)CC4)ncnc3c2c1.
What is the InChIKey of 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole?
The InChIKey is SGRDYXWGRDYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-30-16-8-9-18-17(14-16)21-22(26-18)23(25-15-24-21)28-12-10-27(11-13-28)19-6-4-5-7-20(19)29-2/h4-9,14-15,26H,3,10-13H2,1-2H3.
What are the key properties of 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole?
8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole has a molecular weight of 403.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole is sourced from PubChem (CID 2031324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).