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

C33H37N3O3 — CID 14177722

IUPAC7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCN(CC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c(OC2CCCC2)c1
InChIInChI=1S/C33H37N3O3/c1-5-35(6-2)23-18-19-27(29(21-23)38-24-13-8-9-14-24)33(31-26(32(37)39-33)16-12-20-34-31)30-22(4)36(7-3)28-17-11-10-15-25(28)30/h10-12,15-21,24H,5-9,13-14H2,1-4H3
InChIKeyUAZOKXDYTOJNCS-UHFFFAOYSA-N
MW523.68 g/mol
LogP6.99
Rot. Bonds8

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

7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 14177722) has the molecular formula C33H37N3O3 and a molecular weight of 523.68 g/mol. Its IUPAC name is 7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID14177722
Molecular FormulaC33H37N3O3
Molecular Weight523.68 g/mol
Exact Mass523.28
IUPAC Name7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCN(CC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c(OC2CCCC2)c1
InChIInChI=1S/C33H37N3O3/c1-5-35(6-2)23-18-19-27(29(21-23)38-24-13-8-9-14-24)33(31-26(32(37)39-33)16-12-20-34-31)30-22(4)36(7-3)28-17-11-10-15-25(28)30/h10-12,15-21,24H,5-9,13-14H2,1-4H3
InChIKeyUAZOKXDYTOJNCS-UHFFFAOYSA-N
XLogP6.99
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 14177722) is 7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCN(CC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c(OC2CCCC2)c1.
What is the InChIKey of 7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is UAZOKXDYTOJNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O3/c1-5-35(6-2)23-18-19-27(29(21-23)38-24-13-8-9-14-24)33(31-26(32(37)39-33)16-12-20-34-31)30-22(4)36(7-3)28-17-11-10-15-25(28)30/h10-12,15-21,24H,5-9,13-14H2,1-4H3.
What are the key properties of 7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 523.68 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-cyclopentyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 14177722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).