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

C29H31N3O2 — CID 22283918

IUPAC7-[4-(diethylamino)-3-methylphenyl]-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)cc1C
InChIInChI=1S/C29H31N3O2/c1-6-31(7-2)24-16-15-21(18-19(24)4)29(27-23(28(33)34-29)13-11-17-30-27)26-20(5)32(8-3)25-14-10-9-12-22(25)26/h9-18H,6-8H2,1-5H3
InChIKeyUETZPFQXLILCHH-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.98
Rot. Bonds6

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

7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 22283918) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID22283918
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name7-[4-(diethylamino)-3-methylphenyl]-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)cc1C
InChIInChI=1S/C29H31N3O2/c1-6-31(7-2)24-16-15-21(18-19(24)4)29(27-23(28(33)34-29)13-11-17-30-27)26-20(5)32(8-3)25-14-10-9-12-22(25)26/h9-18H,6-8H2,1-5H3
InChIKeyUETZPFQXLILCHH-UHFFFAOYSA-N
XLogP5.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 22283918) is 7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(diethylamino)-3-methylphenyl]-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)cc1C.
What is the InChIKey of 7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is UETZPFQXLILCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-6-31(7-2)24-16-15-21(18-19(24)4)29(27-23(28(33)34-29)13-11-17-30-27)26-20(5)32(8-3)25-14-10-9-12-22(25)26/h9-18H,6-8H2,1-5H3.
What are the key properties of 7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 453.59 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 22283918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).