7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

C34H33N3O3 — CID 18004145

IUPAC7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1cc(N(CC)c2ccccc2)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C34H33N3O3/c1-5-36-23(4)31(26-16-11-12-18-29(26)36)34(32-27(33(38)40-34)17-13-21-35-32)28-20-19-25(22-30(28)39-7-3)37(6-2)24-14-9-8-10-15-24/h8-22H,5-7H2,1-4H3
InChIKeyCATPNSYLEMYNJK-UHFFFAOYSA-N
MW531.66 g/mol
LogP7.38
Rot. Bonds8

About 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 18004145) has the molecular formula C34H33N3O3 and a molecular weight of 531.66 g/mol. Its IUPAC name is 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID18004145
Molecular FormulaC34H33N3O3
Molecular Weight531.66 g/mol
Exact Mass531.25
IUPAC Name7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1cc(N(CC)c2ccccc2)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C34H33N3O3/c1-5-36-23(4)31(26-16-11-12-18-29(26)36)34(32-27(33(38)40-34)17-13-21-35-32)28-20-19-25(22-30(28)39-7-3)37(6-2)24-14-9-8-10-15-24/h8-22H,5-7H2,1-4H3
InChIKeyCATPNSYLEMYNJK-UHFFFAOYSA-N
XLogP7.38
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 18004145) is 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCOc1cc(N(CC)c2ccccc2)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21.
What is the InChIKey of 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is CATPNSYLEMYNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O3/c1-5-36-23(4)31(26-16-11-12-18-29(26)36)34(32-27(33(38)40-34)17-13-21-35-32)28-20-19-25(22-30(28)39-7-3)37(6-2)24-14-9-8-10-15-24/h8-22H,5-7H2,1-4H3.
What are the key properties of 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 531.66 g/mol, XLogP of 7.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-ethoxy-4-(N-ethylanilino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 18004145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).