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

C60H63BrN6O6 — CID 129173549

IUPAC7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCN(Br)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/C60H63BrN6O6/c1-8-64(9-2)41-29-31-47(59(55-45(57(68)72-59)25-21-33-62-55)53-39(6)65(10-3)49-27-17-15-23-43(49)53)51(37-41)70-35-19-13-14-20-36-71-52-38-42(67(61)12-5)30-32-48(52)60(56-46(58(69)73-60)26-22-34-63-56)54-40(7)66(11-4)50-28-18-16-24-44(50)54/h15-18,21-34,37-38H,8-14,19-20,35-36H2,1-7H3
InChIKeyQOCUZAUDLRPWDA-UHFFFAOYSA-N
MW1044.10 g/mol
LogP12.97
Rot. Bonds20

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

7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 129173549) has the molecular formula C60H63BrN6O6 and a molecular weight of 1044.10 g/mol. Its IUPAC name is 7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID129173549
Molecular FormulaC60H63BrN6O6
Molecular Weight1044.10 g/mol
Exact Mass1042.40
IUPAC Name7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCN(Br)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/C60H63BrN6O6/c1-8-64(9-2)41-29-31-47(59(55-45(57(68)72-59)25-21-33-62-55)53-39(6)65(10-3)49-27-17-15-23-43(49)53)51(37-41)70-35-19-13-14-20-36-71-52-38-42(67(61)12-5)30-32-48(52)60(56-46(58(69)73-60)26-22-34-63-56)54-40(7)66(11-4)50-28-18-16-24-44(50)54/h15-18,21-34,37-38H,8-14,19-20,35-36H2,1-7H3
InChIKeyQOCUZAUDLRPWDA-UHFFFAOYSA-N
XLogP12.97
TPSA113.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.10
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 129173549) is 7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCN(Br)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-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is QOCUZAUDLRPWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H63BrN6O6/c1-8-64(9-2)41-29-31-47(59(55-45(57(68)72-59)25-21-33-62-55)53-39(6)65(10-3)49-27-17-15-23-43(49)53)51(37-41)70-35-19-13-14-20-36-71-52-38-42(67(61)12-5)30-32-48(52)60(56-46(58(69)73-60)26-22-34-63-56)54-40(7)66(11-4)50-28-18-16-24-44(50)54/h15-18,21-34,37-38H,8-14,19-20,35-36H2,1-7H3.
What are the key properties of 7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 1044.10 g/mol, XLogP of 12.97, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[6-[5-[bromo(ethyl)amino]-2-[7-(1-ethyl-2-methylindol-3-yl)-5-oxofuro[3,4-b]pyridin-7-yl]phenoxy]hexoxy]-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129173549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).