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

C66H76N6O5 — CID 159056555

IUPAC7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCCc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21.CCn1c(C)c(C2(c3ccc(NCC4CCCCC4)cc3OC)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C34H41N3O2.C32H35N3O3/c1-6-10-11-12-16-25-23-26(36(7-2)8-3)20-21-29(25)34(32-28(33(38)39-34)18-15-22-35-32)31-24(5)37(9-4)30-19-14-13-17-27(30)31;1-4-35-21(2)29(24-13-8-9-15-27(24)35)32(30-25(31(36)38-32)14-10-18-33-30)26-17-16-23(19-28(26)37-3)34-20-22-11-6-5-7-12-22/h13-15,17-23H,6-12,16H2,1-5H3;8-10,13-19,22,34H,4-7,11-12,20H2,1-3H3
InChIKeyJXXWSFHWAIRSNY-UHFFFAOYSA-N
MW1033.37 g/mol
LogP14.62
Rot. Bonds18

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

7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 159056555) has the molecular formula C66H76N6O5 and a molecular weight of 1033.37 g/mol. Its IUPAC name is 7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID159056555
Molecular FormulaC66H76N6O5
Molecular Weight1033.37 g/mol
Exact Mass1032.59
IUPAC Name7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCCCCc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21.CCn1c(C)c(C2(c3ccc(NCC4CCCCC4)cc3OC)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C34H41N3O2.C32H35N3O3/c1-6-10-11-12-16-25-23-26(36(7-2)8-3)20-21-29(25)34(32-28(33(38)39-34)18-15-22-35-32)31-24(5)37(9-4)30-19-14-13-17-27(30)31;1-4-35-21(2)29(24-13-8-9-15-27(24)35)32(30-25(31(36)38-32)14-10-18-33-30)26-17-16-23(19-28(26)37-3)34-20-22-11-6-5-7-12-22/h13-15,17-23H,6-12,16H2,1-5H3;8-10,13-19,22,34H,4-7,11-12,20H2,1-3H3
InChIKeyJXXWSFHWAIRSNY-UHFFFAOYSA-N
XLogP14.62
TPSA112.74 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001033.37
LogP ≤ 514.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 159056555) is 7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCCCCCc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21.CCn1c(C)c(C2(c3ccc(NCC4CCCCC4)cc3OC)OC(=O)c3cccnc32)c2ccccc21.
What is the InChIKey of 7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is JXXWSFHWAIRSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O2.C32H35N3O3/c1-6-10-11-12-16-25-23-26(36(7-2)8-3)20-21-29(25)34(32-28(33(38)39-34)18-15-22-35-32)31-24(5)37(9-4)30-19-14-13-17-27(30)31;1-4-35-21(2)29(24-13-8-9-15-27(24)35)32(30-25(31(36)38-32)14-10-18-33-30)26-17-16-23(19-28(26)37-3)34-20-22-11-6-5-7-12-22/h13-15,17-23H,6-12,16H2,1-5H3;8-10,13-19,22,34H,4-7,11-12,20H2,1-3H3.
What are the key properties of 7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 1033.37 g/mol, XLogP of 14.62, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclohexylmethylamino)-2-methoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one;7-[4-(diethylamino)-2-hexylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 159056555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).