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

C32H29N3O3 — CID 20534305

IUPAC7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1ccc(N(c2ccccc2)C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)cc1
InChIInChI=1S/C32H29N3O3/c1-4-34-22(3)29(26-14-9-10-16-28(26)34)32(30-27(31(36)38-32)15-11-21-33-30)35(23-12-7-6-8-13-23)24-17-19-25(20-18-24)37-5-2/h6-21H,4-5H2,1-3H3
InChIKeyVRXCIEKYNCFXKF-UHFFFAOYSA-N
MW503.60 g/mol
LogP6.97
Rot. Bonds7

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

7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 20534305) has the molecular formula C32H29N3O3 and a molecular weight of 503.60 g/mol. Its IUPAC name is 7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID20534305
Molecular FormulaC32H29N3O3
Molecular Weight503.60 g/mol
Exact Mass503.22
IUPAC Name7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1ccc(N(c2ccccc2)C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)cc1
InChIInChI=1S/C32H29N3O3/c1-4-34-22(3)29(26-14-9-10-16-28(26)34)32(30-27(31(36)38-32)15-11-21-33-30)35(23-12-7-6-8-13-23)24-17-19-25(20-18-24)37-5-2/h6-21H,4-5H2,1-3H3
InChIKeyVRXCIEKYNCFXKF-UHFFFAOYSA-N
XLogP6.97
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 20534305) is 7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCOc1ccc(N(c2ccccc2)C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)cc1.
What is the InChIKey of 7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is VRXCIEKYNCFXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O3/c1-4-34-22(3)29(26-14-9-10-16-28(26)34)32(30-27(31(36)38-32)15-11-21-33-30)35(23-12-7-6-8-13-23)24-17-19-25(20-18-24)37-5-2/h6-21H,4-5H2,1-3H3.
What are the key properties of 7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 503.60 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-(4-ethoxyphenyl)anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 20534305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).