7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one

C29H30N2O2 — CID 59881545

IUPAC7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCn1c(C)c(C2(c3ccc(C)cc3C)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C29H30N2O2/c1-5-6-9-17-31-21(4)26(22-11-7-8-13-25(22)31)29(24-15-14-19(2)18-20(24)3)27-23(28(32)33-29)12-10-16-30-27/h7-8,10-16,18H,5-6,9,17H2,1-4H3
InChIKeyLRONHAATCCXKHM-UHFFFAOYSA-N
MW438.57 g/mol
LogP6.61
Rot. Bonds6

About 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one

7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 59881545) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID59881545
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Name7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCn1c(C)c(C2(c3ccc(C)cc3C)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C29H30N2O2/c1-5-6-9-17-31-21(4)26(22-11-7-8-13-25(22)31)29(24-15-14-19(2)18-20(24)3)27-23(28(32)33-29)12-10-16-30-27/h7-8,10-16,18H,5-6,9,17H2,1-4H3
InChIKeyLRONHAATCCXKHM-UHFFFAOYSA-N
XLogP6.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885872
7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 167157509
5,5-bis(2-methyl-1-octylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669542
7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 18998069
7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one
CID 59881547
[7-(2-methyl-1-octylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl] acetate
CID 19795549
7-[4-(dipentylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283883
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(2-methyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one;6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 162227217
5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one
CID 139669503
7-(1,2-dimethylindol-3-yl)-7-[4-(ethylideneamino)-2-hexoxyphenyl]furo[3,4-b]pyridin-5-one
CID 175346683
7-[4-(dimethylamino)-2-ethoxyphenyl]-7-(2-ethyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 18998129
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(2-ethyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 18998081

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 59881545) is 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one is CCCCCn1c(C)c(C2(c3ccc(C)cc3C)OC(=O)c3cccnc32)c2ccccc21.
What is the InChIKey of 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is LRONHAATCCXKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2/c1-5-6-9-17-31-21(4)26(22-11-7-8-13-25(22)31)29(24-15-14-19(2)18-20(24)3)27-23(28(32)33-29)12-10-16-30-27/h7-8,10-16,18H,5-6,9,17H2,1-4H3.
What are the key properties of 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 438.57 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 59881545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).