7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one

C18H22N4O — CID 665067

IUPAC7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCCC3)cnc12
InChIInChI=1S/C18H22N4O/c1-13-5-6-14-15(11-13)20-17-16(14)19-12-22(18(17)23)10-9-21-7-3-2-4-8-21/h5-6,11-12,20H,2-4,7-10H2,1H3
InChIKeyFDYDPDYKMFTSJH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.67
Rot. Bonds3

About 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one

7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 665067) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
PubChem CID665067
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCCC3)cnc12
InChIInChI=1S/C18H22N4O/c1-13-5-6-14-15(11-13)20-17-16(14)19-12-22(18(17)23)10-9-21-7-3-2-4-8-21/h5-6,11-12,20H,2-4,7-10H2,1H3
InChIKeyFDYDPDYKMFTSJH-UHFFFAOYSA-N
XLogP2.67
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one 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

Rutaecarpine
CID 65752
Rhetsinine
CID 99652
2-(piperazin-1-ylcarbonyl)-1H-indole
CID 921599
7,8-Dehydrorutaecarpine
CID 148756
Fumiquinazoline F
CID 10089772
Ezm-0414
CID 146395245
Evodiamine, derivative of
CID 156372
(1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4060730
(5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 4242975
(5-fluoro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4906599
(4-ethylpiperazin-1-yl)(1H-indol-2-yl)methanone
CID 11821243
Fiscalin B
CID 10091548

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one (CID 665067) is 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one is Cc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCCC3)cnc12.
What is the InChIKey of 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is FDYDPDYKMFTSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-5-6-14-15(11-13)20-17-16(14)19-12-22(18(17)23)10-9-21-7-3-2-4-8-21/h5-6,11-12,20H,2-4,7-10H2,1H3.
What are the key properties of 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 310.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 665067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).