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

C26H25N3O2 — CID 138630759

IUPAC5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCc1cc(N(C)C)ccc1C1(c2c(C)n(C)c3ccccc23)OC(=O)c2ncccc21
InChIInChI=1S/C26H25N3O2/c1-16-15-18(28(3)4)12-13-20(16)26(21-10-8-14-27-24(21)25(30)31-26)23-17(2)29(5)22-11-7-6-9-19(22)23/h6-15H,1-5H3
InChIKeyMKDZVWOUWFZLSZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.72
Rot. Bonds3

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

5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one (PubChem CID 138630759) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one
PubChem CID138630759
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCc1cc(N(C)C)ccc1C1(c2c(C)n(C)c3ccccc23)OC(=O)c2ncccc21
InChIInChI=1S/C26H25N3O2/c1-16-15-18(28(3)4)12-13-20(16)26(21-10-8-14-27-24(21)25(30)31-26)23-17(2)29(5)22-11-7-6-9-19(22)23/h6-15H,1-5H3
InChIKeyMKDZVWOUWFZLSZ-UHFFFAOYSA-N
XLogP4.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one?
The IUPAC name of 5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one (CID 138630759) is 5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one.
What is the SMILES notation for 5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one?
The canonical SMILES for 5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one is Cc1cc(N(C)C)ccc1C1(c2c(C)n(C)c3ccccc23)OC(=O)c2ncccc21.
What is the InChIKey of 5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one?
The InChIKey is MKDZVWOUWFZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-16-15-18(28(3)4)12-13-20(16)26(21-10-8-14-27-24(21)25(30)31-26)23-17(2)29(5)22-11-7-6-9-19(22)23/h6-15H,1-5H3.
What are the key properties of 5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one?
5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one has a molecular weight of 411.51 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 138630759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).