3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one

C16H13N3O2 — CID 2048505

IUPAC3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccco3)cnc12
InChIInChI=1S/C16H13N3O2/c1-10-4-5-12-13(7-10)18-15-14(12)17-9-19(16(15)20)8-11-3-2-6-21-11/h2-7,9,18H,8H2,1H3
InChIKeyWHAFBPSURPUZOP-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.83
Rot. Bonds2

About 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one

3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 2048505) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one
PubChem CID2048505
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccco3)cnc12
InChIInChI=1S/C16H13N3O2/c1-10-4-5-12-13(7-10)18-15-14(12)17-9-19(16(15)20)8-11-3-2-6-21-11/h2-7,9,18H,8H2,1H3
InChIKeyWHAFBPSURPUZOP-UHFFFAOYSA-N
XLogP2.83
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-ylmethyl)-7-methyl-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

1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1932249
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 10971791
3-[2-(4-Methoxy-phenyl)-ethyl]-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 917283
7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 938420
9-Methoxy-3-(3-morpholin-4-yl-propyl)-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 945870
3-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-one
CID 2031970
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117518
3-(3-ethoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 662745
methyl 3-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate
CID 665154
3-Furan-2-ylmethyl-7-methoxy-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 931915
7-Methoxy-3-(3-morpholin-4-yl-propyl)-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 932879
3-(2-Cyclohex-1-enyl-ethyl)-7-methoxy-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 936087

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one (CID 2048505) is 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one is Cc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccco3)cnc12.
What is the InChIKey of 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is WHAFBPSURPUZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-4-5-12-13(7-10)18-15-14(12)17-9-19(16(15)20)8-11-3-2-6-21-11/h2-7,9,18H,8H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one?
3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 279.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 2048505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).