5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one

C35H43N3O2 — CID 139669503

IUPAC5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one
SMILESCCCCN(CCCC)c1ccc(C2(c3c(C)n(CCCC)c4ccccc34)OC(=O)c3ncccc32)c(C)c1
InChIInChI=1S/C35H43N3O2/c1-6-9-21-37(22-10-7-2)27-18-19-29(25(4)24-27)35(30-16-14-20-36-33(30)34(39)40-35)32-26(5)38(23-11-8-3)31-17-13-12-15-28(31)32/h12-20,24H,6-11,21-23H2,1-5H3
InChIKeyICIJZVKODNRXRM-UHFFFAOYSA-N
MW537.75 g/mol
LogP8.32
Rot. Bonds12

About 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one

5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one (PubChem CID 139669503) has the molecular formula C35H43N3O2 and a molecular weight of 537.75 g/mol. Its IUPAC name is 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one
PubChem CID139669503
Molecular FormulaC35H43N3O2
Molecular Weight537.75 g/mol
Exact Mass537.34
IUPAC Name5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one
SMILESCCCCN(CCCC)c1ccc(C2(c3c(C)n(CCCC)c4ccccc34)OC(=O)c3ncccc32)c(C)c1
InChIInChI=1S/C35H43N3O2/c1-6-9-21-37(22-10-7-2)27-18-19-29(25(4)24-27)35(30-16-14-20-36-33(30)34(39)40-35)32-26(5)38(23-11-8-3)31-17-13-12-15-28(31)32/h12-20,24H,6-11,21-23H2,1-5H3
InChIKeyICIJZVKODNRXRM-UHFFFAOYSA-N
XLogP8.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.75
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one with MolForge

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Related Compounds

5,5-bis(2-methyl-1-octylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669542
5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 14177724
5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 138630759
7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 59881545
3-[2-butoxy-4-(diethylamino)phenyl]-3-(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
CID 139689106
5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one
CID 18916362
7,7-bis[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 139790074
7-[4-(dipentylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283883
7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 18998069
3-(1-butyl-2-methylindol-3-yl)-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 58964023
3-[2-butoxy-4-(diethylamino)phenyl]-3-(2-methyl-1-pentylindol-3-yl)furo[3,4-c]pyridin-1-one
CID 139669632
5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one
CID 18916363

Frequently Asked Questions

What is the IUPAC name of 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one?
The IUPAC name of 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one (CID 139669503) is 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one.
What is the SMILES notation for 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one?
The canonical SMILES for 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one is CCCCN(CCCC)c1ccc(C2(c3c(C)n(CCCC)c4ccccc34)OC(=O)c3ncccc32)c(C)c1.
What is the InChIKey of 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one?
The InChIKey is ICIJZVKODNRXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3O2/c1-6-9-21-37(22-10-7-2)27-18-19-29(25(4)24-27)35(30-16-14-20-36-33(30)34(39)40-35)32-26(5)38(23-11-8-3)31-17-13-12-15-28(31)32/h12-20,24H,6-11,21-23H2,1-5H3.
What are the key properties of 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one?
5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one has a molecular weight of 537.75 g/mol, XLogP of 8.32, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 139669503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).