7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one

C32H29N3O2 — CID 139885397

IUPAC7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCc1cc(N(C)C)ccc1C1(c2c(-c3ccccc3)n(C)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C32H29N3O2/c1-5-21-20-23(34(2)3)17-18-26(21)32(30-25(31(36)37-32)15-11-19-33-30)28-24-14-9-10-16-27(24)35(4)29(28)22-12-7-6-8-13-22/h6-20H,5H2,1-4H3
InChIKeyVCZVAPQQRZYSKB-UHFFFAOYSA-N
MW487.60 g/mol
LogP6.33
Rot. Bonds5

About 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one

7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 139885397) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID139885397
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCc1cc(N(C)C)ccc1C1(c2c(-c3ccccc3)n(C)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C32H29N3O2/c1-5-21-20-23(34(2)3)17-18-26(21)32(30-25(31(36)37-32)15-11-19-33-30)28-24-14-9-10-16-27(24)35(4)29(28)22-12-7-6-8-13-22/h6-20H,5H2,1-4H3
InChIKeyVCZVAPQQRZYSKB-UHFFFAOYSA-N
XLogP6.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-butoxy-4-(diethylamino)phenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885391
5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139885356
7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane
CID 54327982
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283915
5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one
CID 18916362
7-[4-(dimethylamino)-2-ethoxyphenyl]-7-(2-ethyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 18998129
5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one
CID 18916363
7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139843545
7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 18998069
5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 138630759
7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 20534316
7-[4-(dimethoxyamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283907

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 139885397) is 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one is CCc1cc(N(C)C)ccc1C1(c2c(-c3ccccc3)n(C)c3ccccc23)OC(=O)c2cccnc21.
What is the InChIKey of 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is VCZVAPQQRZYSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-5-21-20-23(34(2)3)17-18-26(21)32(30-25(31(36)37-32)15-11-19-33-30)28-24-14-9-10-16-27(24)35(4)29(28)22-12-7-6-8-13-22/h6-20H,5H2,1-4H3.
What are the key properties of 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 487.60 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 139885397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).