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

C32H33N3O2 — CID 167157509

IUPAC7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCn1cc(C2(c3c(C)n(CCCC)c4ccccc34)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C32H33N3O2/c1-4-6-19-34-21-26(23-13-8-10-16-27(23)34)32(30-25(31(36)37-32)15-12-18-33-30)29-22(3)35(20-7-5-2)28-17-11-9-14-24(28)29/h8-18,21H,4-7,19-20H2,1-3H3
InChIKeyAXVVXZOJOVAQDP-UHFFFAOYSA-N
MW491.64 g/mol
LogP7.36
Rot. Bonds8

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

7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 167157509) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID167157509
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC Name7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCn1cc(C2(c3c(C)n(CCCC)c4ccccc34)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C32H33N3O2/c1-4-6-19-34-21-26(23-13-8-10-16-27(23)34)32(30-25(31(36)37-32)15-12-18-33-30)29-22(3)35(20-7-5-2)28-17-11-9-14-24(28)29/h8-18,21H,4-7,19-20H2,1-3H3
InChIKeyAXVVXZOJOVAQDP-UHFFFAOYSA-N
XLogP7.36
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-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-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 59881545
5,5-bis(2-methyl-1-octylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669542
7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139843545
[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
5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669553
7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 137355616
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-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 18998069
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-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 167157509) is 7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCCCn1cc(C2(c3c(C)n(CCCC)c4ccccc34)OC(=O)c3cccnc32)c2ccccc21.
What is the InChIKey of 7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is AXVVXZOJOVAQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-4-6-19-34-21-26(23-13-8-10-16-27(23)34)32(30-25(31(36)37-32)15-12-18-33-30)29-22(3)35(20-7-5-2)28-17-11-9-14-24(28)29/h8-18,21H,4-7,19-20H2,1-3H3.
What are the key properties of 7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 491.64 g/mol, XLogP of 7.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 167157509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).