[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone

C31H34N4O3 — CID 67141243

IUPAC[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(Cn2c(C)c(C)c3cc(C(=O)N4CCOCC4)nc(N4CCc5ccccc5C4)c32)c1
InChIInChI=1S/C31H34N4O3/c1-21-22(2)35(19-23-7-6-10-26(17-23)37-3)29-27(21)18-28(31(36)33-13-15-38-16-14-33)32-30(29)34-12-11-24-8-4-5-9-25(24)20-34/h4-10,17-18H,11-16,19-20H2,1-3H3
InChIKeyVUPNRDZWYHGNOD-UHFFFAOYSA-N
MW510.64 g/mol
LogP4.75
Rot. Bonds5

About [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone

[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (PubChem CID 67141243) has the molecular formula C31H34N4O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
PubChem CID67141243
Molecular FormulaC31H34N4O3
Molecular Weight510.64 g/mol
Exact Mass510.26
IUPAC Name[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(Cn2c(C)c(C)c3cc(C(=O)N4CCOCC4)nc(N4CCc5ccccc5C4)c32)c1
InChIInChI=1S/C31H34N4O3/c1-21-22(2)35(19-23-7-6-10-26(17-23)37-3)29-27(21)18-28(31(36)33-13-15-38-16-14-33)32-30(29)34-12-11-24-8-4-5-9-25(24)20-34/h4-10,17-18H,11-16,19-20H2,1-3H3
InChIKeyVUPNRDZWYHGNOD-UHFFFAOYSA-N
XLogP4.75
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
CID 67141082
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone;hydrochloride
CID 67141081
1-[(3-chlorophenyl)methyl]-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142774
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 67141066
1-benzyl-N-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142593
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridin-5-yl]-piperidin-1-ylmethanone;hydrochloride
CID 67141672
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 67141904
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-5-yl]-piperidin-1-ylmethanone;hydrochloride
CID 67142102
[1-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl] methyl carbonate
CID 67143448
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 67141903
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 67142241
[1-[(3-chlorophenyl)methyl]-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl] hydrogen carbonate
CID 67142776

Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (CID 67141243) is [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is COc1cccc(Cn2c(C)c(C)c3cc(C(=O)N4CCOCC4)nc(N4CCc5ccccc5C4)c32)c1.
What is the InChIKey of [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is VUPNRDZWYHGNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O3/c1-21-22(2)35(19-23-7-6-10-26(17-23)37-3)29-27(21)18-28(31(36)33-13-15-38-16-14-33)32-30(29)34-12-11-24-8-4-5-9-25(24)20-34/h4-10,17-18H,11-16,19-20H2,1-3H3.
What are the key properties of [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 510.64 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67141243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).