7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane

C27H29N3O2 — CID 54327982

IUPAC7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane
SMILESCC.Cc1c(C2(c3ccc(N(C)C)cc3)OC(=O)c3cccnc32)c2ccccc2n1C
InChIInChI=1S/C25H23N3O2.C2H6/c1-16-22(19-8-5-6-10-21(19)28(16)4)25(17-11-13-18(14-12-17)27(2)3)23-20(24(29)30-25)9-7-15-26-23;1-2/h5-15H,1-4H3;1-2H3
InChIKeySWHOWCABQYEAMB-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.44
Rot. Bonds3

About 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane

7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane (PubChem CID 54327982) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane
PubChem CID54327982
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane
SMILESCC.Cc1c(C2(c3ccc(N(C)C)cc3)OC(=O)c3cccnc32)c2ccccc2n1C
InChIInChI=1S/C25H23N3O2.C2H6/c1-16-22(19-8-5-6-10-21(19)28(16)4)25(17-11-13-18(14-12-17)27(2)3)23-20(24(29)30-25)9-7-15-26-23;1-2/h5-15H,1-4H3;1-2H3
InChIKeySWHOWCABQYEAMB-UHFFFAOYSA-N
XLogP5.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane with MolForge

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Related Compounds

7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139843545
5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 138630759
7-[4-(dimethylamino)-2-ethylphenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885397
5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139885356
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-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283918
3-[4-(dimethylamino)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
CID 19073958
7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 20534316
3-(1-butyl-2-methylindol-3-yl)-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 58964023
7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885872
7-(1,2-dimethylindol-3-yl)-7-[4-(ethylideneamino)-2-hexoxyphenyl]furo[3,4-b]pyridin-5-one
CID 175346683
7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 137355616

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane (CID 54327982) is 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane is CC.Cc1c(C2(c3ccc(N(C)C)cc3)OC(=O)c3cccnc32)c2ccccc2n1C.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane?
The InChIKey is SWHOWCABQYEAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C2H6/c1-16-22(19-8-5-6-10-21(19)28(16)4)25(17-11-13-18(14-12-17)27(2)3)23-20(24(29)30-25)9-7-15-26-23;1-2/h5-15H,1-4H3;1-2H3.
What are the key properties of 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane?
7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane has a molecular weight of 427.55 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane is sourced from PubChem (CID 54327982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).