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

C27H23N3O2 — CID 139843545

IUPAC7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3cccnc32)c2ccccc2n1C
InChIInChI=1S/C27H23N3O2/c1-16-23(18-10-5-7-13-21(18)29(16)3)27(25-20(26(31)32-27)12-9-15-28-25)24-17(2)30(4)22-14-8-6-11-19(22)24/h5-15H,1-4H3
InChIKeyBVJHMVYTMWUKBH-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.14
Rot. Bonds2

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

7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 139843545) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID139843545
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3cccnc32)c2ccccc2n1C
InChIInChI=1S/C27H23N3O2/c1-16-23(18-10-5-7-13-21(18)29(16)3)27(25-20(26(31)32-27)12-9-15-28-25)24-17(2)30(4)22-14-8-6-11-19(22)24/h5-15H,1-4H3
InChIKeyBVJHMVYTMWUKBH-UHFFFAOYSA-N
XLogP5.14
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 139843545) is 7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one is Cc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3cccnc32)c2ccccc2n1C.
What is the InChIKey of 7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is BVJHMVYTMWUKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-16-23(18-10-5-7-13-21(18)29(16)3)27(25-20(26(31)32-27)12-9-15-28-25)24-17(2)30(4)22-14-8-6-11-19(22)24/h5-15H,1-4H3.
What are the key properties of 7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one?
7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 421.50 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 139843545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).