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

C15H11N3O2 — CID 915628

IUPAC3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESO=c1c2[nH]c3ccccc3c2ncn1Cc1ccco1
InChIInChI=1S/C15H11N3O2/c19-15-14-13(11-5-1-2-6-12(11)17-14)16-9-18(15)8-10-4-3-7-20-10/h1-7,9,17H,8H2
InChIKeyYKNABFTYZNZZKC-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.52
Rot. Bonds2

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

3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 915628) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
PubChem CID915628
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESO=c1c2[nH]c3ccccc3c2ncn1Cc1ccco1
InChIInChI=1S/C15H11N3O2/c19-15-14-13(11-5-1-2-6-12(11)17-14)16-9-18(15)8-10-4-3-7-20-10/h1-7,9,17H,8H2
InChIKeyYKNABFTYZNZZKC-UHFFFAOYSA-N
XLogP2.52
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-(furan-2-ylmethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 2048505
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117518
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 16194637
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

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one (CID 915628) is 3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one is O=c1c2[nH]c3ccccc3c2ncn1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is YKNABFTYZNZZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15-14-13(11-5-1-2-6-12(11)17-14)16-9-18(15)8-10-4-3-7-20-10/h1-7,9,17H,8H2.
What are the key properties of 3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one?
3-(furan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 265.27 g/mol, XLogP of 2.52, 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)-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 915628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).