7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

C62H68N6O6 — CID 138622439

IUPAC7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-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)c(OCCCCCCOc2cc(N(CC)CC)ccc2C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c1
InChIInChI=1S/C62H68N6O6/c1-9-65(10-2)43-31-33-49(61(57-47(59(69)73-61)27-23-35-63-57)55-41(7)67(13-5)51-29-19-17-25-45(51)55)53(39-43)71-37-21-15-16-22-38-72-54-40-44(66(11-3)12-4)32-34-50(54)62(58-48(60(70)74-62)28-24-36-64-58)56-42(8)68(14-6)52-30-20-18-26-46(52)56/h17-20,23-36,39-40H,9-16,21-22,37-38H2,1-8H3
InChIKeyFSRCRZFESSKWKU-UHFFFAOYSA-N
MW993.26 g/mol
LogP12.68
Rot. Bonds21

About 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 138622439) has the molecular formula C62H68N6O6 and a molecular weight of 993.26 g/mol. Its IUPAC name is 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID138622439
Molecular FormulaC62H68N6O6
Molecular Weight993.26 g/mol
Exact Mass992.52
IUPAC Name7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-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)c(OCCCCCCOc2cc(N(CC)CC)ccc2C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c1
InChIInChI=1S/C62H68N6O6/c1-9-65(10-2)43-31-33-49(61(57-47(59(69)73-61)27-23-35-63-57)55-41(7)67(13-5)51-29-19-17-25-45(51)55)53(39-43)71-37-21-15-16-22-38-72-54-40-44(66(11-3)12-4)32-34-50(54)62(58-48(60(70)74-62)28-24-36-64-58)56-42(8)68(14-6)52-30-20-18-26-46(52)56/h17-20,23-36,39-40H,9-16,21-22,37-38H2,1-8H3
InChIKeyFSRCRZFESSKWKU-UHFFFAOYSA-N
XLogP12.68
TPSA113.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.26
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-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-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 138622439) is 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-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)c(OCCCCCCOc2cc(N(CC)CC)ccc2C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c1.
What is the InChIKey of 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is FSRCRZFESSKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68N6O6/c1-9-65(10-2)43-31-33-49(61(57-47(59(69)73-61)27-23-35-63-57)55-41(7)67(13-5)51-29-19-17-25-45(51)55)53(39-43)71-37-21-15-16-22-38-72-54-40-44(66(11-3)12-4)32-34-50(54)62(58-48(60(70)74-62)28-24-36-64-58)56-42(8)68(14-6)52-30-20-18-26-46(52)56/h17-20,23-36,39-40H,9-16,21-22,37-38H2,1-8H3.
What are the key properties of 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 993.26 g/mol, XLogP of 12.68, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(diethylamino)-2-[6-[5-(diethylamino)-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 138622439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).