7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

C33H35N3O2 — CID 139885872

IUPAC7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C33H35N3O2/c1-5-7-8-13-21-36-23(4)30(25-16-10-12-19-28(25)36)33(31-26(32(37)38-33)17-14-20-34-31)29-22(3)35(6-2)27-18-11-9-15-24(27)29/h9-12,14-20H,5-8,13,21H2,1-4H3
InChIKeyVOOOASOPCDEXPM-UHFFFAOYSA-N
MW505.66 g/mol
LogP7.67
Rot. Bonds8

About 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 139885872) has the molecular formula C33H35N3O2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID139885872
Molecular FormulaC33H35N3O2
Molecular Weight505.66 g/mol
Exact Mass505.27
IUPAC Name7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C33H35N3O2/c1-5-7-8-13-21-36-23(4)30(25-16-10-12-19-28(25)36)33(31-26(32(37)38-33)17-14-20-34-31)29-22(3)35(6-2)27-18-11-9-15-24(27)29/h9-12,14-20H,5-8,13,21H2,1-4H3
InChIKeyVOOOASOPCDEXPM-UHFFFAOYSA-N
XLogP7.67
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 59881545
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-(2-methyl-1-octylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl] acetate
CID 19795549
7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139843545
7-[4-(dipentylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283883
7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283918
7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 137355616
3-[4-(dimethylamino)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
CID 19073958
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
7-[4-(dimethoxyamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283907
7-[4-(dimethylamino)-2-ethoxyphenyl]-7-(2-ethyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 18998129

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 139885872) is 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCCCCCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c2ccccc21.
What is the InChIKey of 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is VOOOASOPCDEXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O2/c1-5-7-8-13-21-36-23(4)30(25-16-10-12-19-28(25)36)33(31-26(32(37)38-33)17-14-20-34-31)29-22(3)35(6-2)27-18-11-9-15-24(27)29/h9-12,14-20H,5-8,13,21H2,1-4H3.
What are the key properties of 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 505.66 g/mol, XLogP of 7.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 139885872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).