3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine

C35H40N4O6 — CID 167240973

IUPAC3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCOc1ccc(CN2Cc3cc(OC)c(OCCCOc4nc5c(cc4OC)CN(Cc4ccc(OC)cc4)C5)nc3C2)cc1
InChIInChI=1S/C35H40N4O6/c1-40-28-10-6-24(7-11-28)18-38-20-26-16-32(42-3)34(36-30(26)22-38)44-14-5-15-45-35-33(43-4)17-27-21-39(23-31(27)37-35)19-25-8-12-29(41-2)13-9-25/h6-13,16-17H,5,14-15,18-23H2,1-4H3
InChIKeyUCLALYFIINUXBP-UHFFFAOYSA-N
MW612.73 g/mol
LogP5.39
Rot. Bonds14

About 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine

3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 167240973) has the molecular formula C35H40N4O6 and a molecular weight of 612.73 g/mol. Its IUPAC name is 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID167240973
Molecular FormulaC35H40N4O6
Molecular Weight612.73 g/mol
Exact Mass612.29
IUPAC Name3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCOc1ccc(CN2Cc3cc(OC)c(OCCCOc4nc5c(cc4OC)CN(Cc4ccc(OC)cc4)C5)nc3C2)cc1
InChIInChI=1S/C35H40N4O6/c1-40-28-10-6-24(7-11-28)18-38-20-26-16-32(42-3)34(36-30(26)22-38)44-14-5-15-45-35-33(43-4)17-27-21-39(23-31(27)37-35)19-25-8-12-29(41-2)13-9-25/h6-13,16-17H,5,14-15,18-23H2,1-4H3
InChIKeyUCLALYFIINUXBP-UHFFFAOYSA-N
XLogP5.39
TPSA87.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine
CID 71302960
4-[2-[3-[[6-(3-carboxypropanoyl)-3-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-3-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-oxobutanoic acid
CID 170563969
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
methyl 4-[2-[3-[(6-butanoyl-3-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)oxy]propoxy]-3-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-4-oxobutanoate
CID 167241331
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930292
6-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 71817812
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409
4-[(4-chlorophenyl)methyl]-9-methoxy-7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 26358741

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine (CID 167240973) is 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine is COc1ccc(CN2Cc3cc(OC)c(OCCCOc4nc5c(cc4OC)CN(Cc4ccc(OC)cc4)C5)nc3C2)cc1.
What is the InChIKey of 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is UCLALYFIINUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O6/c1-40-28-10-6-24(7-11-28)18-38-20-26-16-32(42-3)34(36-30(26)22-38)44-14-5-15-45-35-33(43-4)17-27-21-39(23-31(27)37-35)19-25-8-12-29(41-2)13-9-25/h6-13,16-17H,5,14-15,18-23H2,1-4H3.
What are the key properties of 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine?
3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 612.73 g/mol, XLogP of 5.39, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[3-[[3-methoxy-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]oxy]propoxy]-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 167240973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).