7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one

C35H47N3O4 — CID 139834048

IUPAC7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
SMILESCCCN(CCC)c1ccc(C2(c3ccc(N(CCC)CCC)cc3OCC)OC(=O)c3cccnc32)c(OCC)c1
InChIInChI=1S/C35H47N3O4/c1-7-20-37(21-8-2)26-15-17-29(31(24-26)40-11-5)35(33-28(34(39)42-35)14-13-19-36-33)30-18-16-27(25-32(30)41-12-6)38(22-9-3)23-10-4/h13-19,24-25H,7-12,20-23H2,1-6H3
InChIKeyCXJSVDCAYRAALA-UHFFFAOYSA-N
MW573.78 g/mol
LogP7.59
Rot. Bonds16

About 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one

7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one (PubChem CID 139834048) has the molecular formula C35H47N3O4 and a molecular weight of 573.78 g/mol. Its IUPAC name is 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
PubChem CID139834048
Molecular FormulaC35H47N3O4
Molecular Weight573.78 g/mol
Exact Mass573.36
IUPAC Name7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
SMILESCCCN(CCC)c1ccc(C2(c3ccc(N(CCC)CCC)cc3OCC)OC(=O)c3cccnc32)c(OCC)c1
InChIInChI=1S/C35H47N3O4/c1-7-20-37(21-8-2)26-15-17-29(31(24-26)40-11-5)35(33-28(34(39)42-35)14-13-19-36-33)30-18-16-27(25-32(30)41-12-6)38(22-9-3)23-10-4/h13-19,24-25H,7-12,20-23H2,1-6H3
InChIKeyCXJSVDCAYRAALA-UHFFFAOYSA-N
XLogP7.59
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.78
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

7,7-bis[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 139790074
7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
CID 20622255
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 68847413
7-[4-(dipentylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283883
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283915
3-[4-(diethylamino)-2-ethoxyphenyl]-3-[4-(diethylamino)-2-propoxyphenyl]furo[3,4-c]pyridin-1-one
CID 139669641
7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-methyl-4-(methylamino)indol-3-yl]furo[3,4-b]pyridin-5-one
CID 22283948
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(2-ethyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 18998081
7-[4-[bis(prop-2-enyl)amino]-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283953
7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one
CID 22644157
7-[4-(dimethoxyamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283907
3-[2-chloro-4-(diethylamino)phenyl]-3-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-c]pyridin-1-one
CID 139669640

Frequently Asked Questions

What is the IUPAC name of 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one?
The IUPAC name of 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one (CID 139834048) is 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one is CCCN(CCC)c1ccc(C2(c3ccc(N(CCC)CCC)cc3OCC)OC(=O)c3cccnc32)c(OCC)c1.
What is the InChIKey of 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one?
The InChIKey is CXJSVDCAYRAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N3O4/c1-7-20-37(21-8-2)26-15-17-29(31(24-26)40-11-5)35(33-28(34(39)42-35)14-13-19-36-33)30-18-16-27(25-32(30)41-12-6)38(22-9-3)23-10-4/h13-19,24-25H,7-12,20-23H2,1-6H3.
What are the key properties of 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one?
7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one has a molecular weight of 573.78 g/mol, XLogP of 7.59, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 139834048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).