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

C30H25N3O2 — CID 139885356

IUPAC5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCN(C)c1ccc(C2(c3c(-c4ccccc4)n(C)c4ccccc34)OC(=O)c3ncccc32)cc1
InChIInChI=1S/C30H25N3O2/c1-32(2)22-17-15-21(16-18-22)30(24-13-9-19-31-27(24)29(34)35-30)26-23-12-7-8-14-25(23)33(3)28(26)20-10-5-4-6-11-20/h4-19H,1-3H3
InChIKeyKIZBVKIEEKXKSV-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.77
Rot. Bonds4

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

5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one (PubChem CID 139885356) has the molecular formula C30H25N3O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one
PubChem CID139885356
Molecular FormulaC30H25N3O2
Molecular Weight459.55 g/mol
Exact Mass459.19
IUPAC Name5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCN(C)c1ccc(C2(c3c(-c4ccccc4)n(C)c4ccccc34)OC(=O)c3ncccc32)cc1
InChIInChI=1S/C30H25N3O2/c1-32(2)22-17-15-21(16-18-22)30(24-13-9-19-31-27(24)29(34)35-30)26-23-12-7-8-14-25(23)33(3)28(26)20-10-5-4-6-11-20/h4-19H,1-3H3
InChIKeyKIZBVKIEEKXKSV-UHFFFAOYSA-N
XLogP5.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one
CID 18916362
7-[4-(dimethylamino)phenyl]-7-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one;ethane
CID 54327982
7-[2-butoxy-4-(diethylamino)phenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885391
3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 21226359
6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one
CID 14712769
5,5-bis(2-methyl-1-octylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669542
3-[4-(dibutylamino)phenyl]-3-(1-ethyl-2-phenylindol-3-yl)-2-benzofuran-1-one
CID 139704931
5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669511
5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one
CID 18916363
3-[4-(dimethylamino)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
CID 19073958

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one (CID 139885356) is 5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one is CN(C)c1ccc(C2(c3c(-c4ccccc4)n(C)c4ccccc34)OC(=O)c3ncccc32)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one?
The InChIKey is KIZBVKIEEKXKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2/c1-32(2)22-17-15-21(16-18-22)30(24-13-9-19-31-27(24)29(34)35-30)26-23-12-7-8-14-25(23)33(3)28(26)20-10-5-4-6-11-20/h4-19H,1-3H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one?
5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one has a molecular weight of 459.55 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 139885356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).