[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone

C26H32N4O2 — CID 67142241

IUPAC[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCCC(O)C3)nc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C26H32N4O2/c1-4-30-18(3)17(2)22-14-23(26(32)29-12-7-10-21(31)16-29)27-25(24(22)30)28-13-11-19-8-5-6-9-20(19)15-28/h5-6,8-9,14,21,31H,4,7,10-13,15-16H2,1-3H3
InChIKeyYOFXWGCKLUBSGA-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.83
Rot. Bonds3

About [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone

[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 67142241) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID67142241
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCCC(O)C3)nc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C26H32N4O2/c1-4-30-18(3)17(2)22-14-23(26(32)29-12-7-10-21(31)16-29)27-25(24(22)30)28-13-11-19-8-5-6-9-20(19)15-28/h5-6,8-9,14,21,31H,4,7,10-13,15-16H2,1-3H3
InChIKeyYOFXWGCKLUBSGA-UHFFFAOYSA-N
XLogP3.83
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone with MolForge

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Related Compounds

[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)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 67141903
cyclohexyl-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]methanone
CID 67142304
[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)-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)-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 67141066
[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
[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-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142551
1-[(3-chlorophenyl)methyl]-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142774
1-benzyl-N-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142593

Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [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) is [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone is CCn1c(C)c(C)c2cc(C(=O)N3CCCC(O)C3)nc(N3CCc4ccccc4C3)c21.
What is the InChIKey of [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is YOFXWGCKLUBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-30-18(3)17(2)22-14-23(26(32)29-12-7-10-21(31)16-29)27-25(24(22)30)28-13-11-19-8-5-6-9-20(19)15-28/h5-6,8-9,14,21,31H,4,7,10-13,15-16H2,1-3H3.
What are the key properties of [7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone?
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 432.57 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 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-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 67142241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).