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

C33H39N3O3 — CID 14177717

IUPAC7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCOc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C33H39N3O3/c1-6-10-13-21-38-29-22-24(35(7-2)8-3)18-19-27(29)33(31-26(32(37)39-33)16-14-20-34-31)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
InChIKeyOOVLTPREOVATAH-UHFFFAOYSA-N
MW525.69 g/mol
LogP7.24
Rot. Bonds11

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

7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 14177717) has the molecular formula C33H39N3O3 and a molecular weight of 525.69 g/mol. Its IUPAC name is 7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID14177717
Molecular FormulaC33H39N3O3
Molecular Weight525.69 g/mol
Exact Mass525.30
IUPAC Name7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCOc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C33H39N3O3/c1-6-10-13-21-38-29-22-24(35(7-2)8-3)18-19-27(29)33(31-26(32(37)39-33)16-14-20-34-31)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
InChIKeyOOVLTPREOVATAH-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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 14177717) is 7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCCCCOc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21.
What is the InChIKey of 7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is OOVLTPREOVATAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O3/c1-6-10-13-21-38-29-22-24(35(7-2)8-3)18-19-27(29)33(31-26(32(37)39-33)16-14-20-34-31)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 7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-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 7-[4-(diethylamino)-2-pentoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 14177717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).