5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one

C17H20N4O — CID 139221242

IUPAC5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCC1NC=NC1CN1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C17H20N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,19)
InChIKeyUMQSURHZYDOZLP-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.57
Rot. Bonds2

About 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one

5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one (PubChem CID 139221242) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
PubChem CID139221242
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCC1NC=NC1CN1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C17H20N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,19)
InChIKeyUMQSURHZYDOZLP-UHFFFAOYSA-N
XLogP1.57
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one?
The IUPAC name of 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one (CID 139221242) is 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one is CC1NC=NC1CN1CCc2c(c3ccccc3n2C)C1=O.
What is the InChIKey of 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one?
The InChIKey is UMQSURHZYDOZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one?
5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one has a molecular weight of 296.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 139221242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).