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

C30H31FN4O2 — CID 67141082

IUPAC[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESCc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C30H31FN4O2/c1-20-21(2)35(18-22-6-5-9-25(31)16-22)28-26(20)17-27(30(36)33-12-14-37-15-13-33)32-29(28)34-11-10-23-7-3-4-8-24(23)19-34/h3-9,16-17H,10-15,18-19H2,1-2H3
InChIKeyOIJMFUOBVMDNPL-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.88
Rot. Bonds4

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

[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (PubChem CID 67141082) has the molecular formula C30H31FN4O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)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-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
PubChem CID67141082
Molecular FormulaC30H31FN4O2
Molecular Weight498.60 g/mol
Exact Mass498.24
IUPAC Name[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESCc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C30H31FN4O2/c1-20-21(2)35(18-22-6-5-9-25(31)16-22)28-26(20)17-27(30(36)33-12-14-37-15-13-33)32-29(28)34-11-10-23-7-3-4-8-24(23)19-34/h3-9,16-17H,10-15,18-19H2,1-2H3
InChIKeyOIJMFUOBVMDNPL-UHFFFAOYSA-N
XLogP4.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)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;hydrochloride
CID 67141081
[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
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]methanamine
CID 67141855
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
[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-fluorophenyl)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-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (CID 67141082) is [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is Cc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCOCC3)cc12.
What is the InChIKey of [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is OIJMFUOBVMDNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2/c1-20-21(2)35(18-22-6-5-9-25(31)16-22)28-26(20)17-27(30(36)33-12-14-37-15-13-33)32-29(28)34-11-10-23-7-3-4-8-24(23)19-34/h3-9,16-17H,10-15,18-19H2,1-2H3.
What are the key properties of [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 498.60 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67141082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).