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

C31H35N3O3 — CID 14177720

IUPAC7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCOc1cc(N(C)C)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C31H35N3O3/c1-6-8-11-19-36-27-20-22(33(4)5)16-17-25(27)31(29-24(30(35)37-31)14-12-18-32-29)28-21(3)34(7-2)26-15-10-9-13-23(26)28/h9-10,12-18,20H,6-8,11,19H2,1-5H3
InChIKeyIRJUFWKFESQGEM-UHFFFAOYSA-N
MW497.64 g/mol
LogP6.46
Rot. Bonds9

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

7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 14177720) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is 7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID14177720
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC Name7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCOc1cc(N(C)C)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C31H35N3O3/c1-6-8-11-19-36-27-20-22(33(4)5)16-17-25(27)31(29-24(30(35)37-31)14-12-18-32-29)28-21(3)34(7-2)26-15-10-9-13-23(26)28/h9-10,12-18,20H,6-8,11,19H2,1-5H3
InChIKeyIRJUFWKFESQGEM-UHFFFAOYSA-N
XLogP6.46
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 71604304
CID 71604304
CID 115210
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CID 11669478
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CID 10134976
CID 10134976
CID 11517940
CID 11517940
CID 11595817
CID 11595817
CID 11676975
CID 11676975
CID 11689539
CID 11689539
CID 7345532
CID 7345532
CID 951675
CID 951675
CID 112170
CID 112170
CID 817595
CID 817595

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 14177720) is 7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCCCCOc1cc(N(C)C)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21.
What is the InChIKey of 7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is IRJUFWKFESQGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-6-8-11-19-36-27-20-22(33(4)5)16-17-25(27)31(29-24(30(35)37-31)14-12-18-32-29)28-21(3)34(7-2)26-15-10-9-13-23(26)28/h9-10,12-18,20H,6-8,11,19H2,1-5H3.
What are the key properties of 7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 497.64 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 14177720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).