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

C33H39N3O3 — CID 14177724

IUPAC5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCCCCCOc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2ncccc21
InChIInChI=1S/C33H39N3O3/c1-6-10-13-21-38-29-22-24(35(7-2)8-3)18-19-26(29)33(27-16-14-20-34-31(27)32(37)39-33)30-23(5)36(9-4)28-17-12-11-15-25(28)30/h11-12,14-20,22H,6-10,13,21H2,1-5H3
InChIKeyTYBVYNUGALBIIJ-UHFFFAOYSA-N
MW525.69 g/mol
LogP7.24
Rot. Bonds11

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

5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one (PubChem CID 14177724) has the molecular formula C33H39N3O3 and a molecular weight of 525.69 g/mol. Its IUPAC name is 5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
PubChem CID14177724
Molecular FormulaC33H39N3O3
Molecular Weight525.69 g/mol
Exact Mass525.30
IUPAC Name5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCCCCCOc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2ncccc21
InChIInChI=1S/C33H39N3O3/c1-6-10-13-21-38-29-22-24(35(7-2)8-3)18-19-26(29)33(27-16-14-20-34-31(27)32(37)39-33)30-23(5)36(9-4)28-17-12-11-15-25(28)30/h11-12,14-20,22H,6-10,13,21H2,1-5H3
InChIKeyTYBVYNUGALBIIJ-UHFFFAOYSA-N
XLogP7.24
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.69
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

3-[2-butoxy-4-(diethylamino)phenyl]-3-(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
CID 139689106
3-[4-(diethylamino)-2-(2-ethoxyethoxy)phenyl]-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
CID 14366001
7-[4-(diethylamino)-2-(3-methylbutoxy)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 14177718
3-[2-butoxy-4-(diethylamino)phenyl]-3-(2-methyl-1-pentylindol-3-yl)furo[3,4-c]pyridin-1-one
CID 139669632
7-[4-(dipentylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283883
5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one
CID 139669503
5,5-bis(2-methyl-1-octylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669542
7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 14177723
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(2-methyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one;6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 162227217
7-[2-butoxy-4-(diethylamino)phenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885391
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-(2-ethyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 18998081

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one?
The IUPAC name of 5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one (CID 14177724) is 5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one.
What is the SMILES notation for 5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one?
The canonical SMILES for 5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one is CCCCCOc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2ncccc21.
What is the InChIKey of 5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one?
The InChIKey is TYBVYNUGALBIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O3/c1-6-10-13-21-38-29-22-24(35(7-2)8-3)18-19-26(29)33(27-16-14-20-34-31(27)32(37)39-33)30-23(5)36(9-4)28-17-12-11-15-25(28)30/h11-12,14-20,22H,6-10,13,21H2,1-5H3.
What are the key properties of 5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one?
5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one has a molecular weight of 525.69 g/mol, XLogP of 7.24, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 14177724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).