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

C35H35N3O3 — CID 22283915

IUPAC7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1cc(N(CC)CC)ccc1C1(c2c(-c3ccccc3)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C35H35N3O3/c1-5-37(6-2)25-20-21-28(30(23-25)40-8-4)35(33-27(34(39)41-35)18-14-22-36-33)31-26-17-12-13-19-29(26)38(7-3)32(31)24-15-10-9-11-16-24/h9-23H,5-8H2,1-4H3
InChIKeyQZFLNSVRRSHKGN-UHFFFAOYSA-N
MW545.68 g/mol
LogP7.43
Rot. Bonds9

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

7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 22283915) has the molecular formula C35H35N3O3 and a molecular weight of 545.68 g/mol. Its IUPAC name is 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID22283915
Molecular FormulaC35H35N3O3
Molecular Weight545.68 g/mol
Exact Mass545.27
IUPAC Name7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1cc(N(CC)CC)ccc1C1(c2c(-c3ccccc3)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C35H35N3O3/c1-5-37(6-2)25-20-21-28(30(23-25)40-8-4)35(33-27(34(39)41-35)18-14-22-36-33)31-26-17-12-13-19-29(26)38(7-3)32(31)24-15-10-9-11-16-24/h9-23H,5-8H2,1-4H3
InChIKeyQZFLNSVRRSHKGN-UHFFFAOYSA-N
XLogP7.43
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.68
LogP ≤ 57.43
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-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 22283915) is 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one is CCOc1cc(N(CC)CC)ccc1C1(c2c(-c3ccccc3)n(CC)c3ccccc23)OC(=O)c2cccnc21.
What is the InChIKey of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is QZFLNSVRRSHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O3/c1-5-37(6-2)25-20-21-28(30(23-25)40-8-4)35(33-27(34(39)41-35)18-14-22-36-33)31-26-17-12-13-19-29(26)38(7-3)32(31)24-15-10-9-11-16-24/h9-23H,5-8H2,1-4H3.
What are the key properties of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 545.68 g/mol, XLogP of 7.43, 9 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-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 22283915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).