7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one

C29H31N3O3 — CID 68847413

IUPAC7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1cc(N(CC)CC)ccc1C1(c2cn(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C29H31N3O3/c1-5-31(6-2)20-15-16-23(26(18-20)34-8-4)29(27-22(28(33)35-29)13-11-17-30-27)24-19-32(7-3)25-14-10-9-12-21(24)25/h9-19H,5-8H2,1-4H3
InChIKeyZAEGJWXKSCPAAC-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.76
Rot. Bonds8

About 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one

7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 68847413) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID68847413
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1cc(N(CC)CC)ccc1C1(c2cn(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C29H31N3O3/c1-5-31(6-2)20-15-16-23(26(18-20)34-8-4)29(27-22(28(33)35-29)13-11-17-30-27)24-19-32(7-3)25-14-10-9-12-21(24)25/h9-19H,5-8H2,1-4H3
InChIKeyZAEGJWXKSCPAAC-UHFFFAOYSA-N
XLogP5.76
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 68847413) is 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one is CCOc1cc(N(CC)CC)ccc1C1(c2cn(CC)c3ccccc23)OC(=O)c2cccnc21.
What is the InChIKey of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is ZAEGJWXKSCPAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-5-31(6-2)20-15-16-23(26(18-20)34-8-4)29(27-22(28(33)35-29)13-11-17-30-27)24-19-32(7-3)25-14-10-9-12-21(24)25/h9-19H,5-8H2,1-4H3.
What are the key properties of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 469.59 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 68847413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).