(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone

C20H20N4O3 — CID 86286576

IUPAC(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone
SMILESCOc1cc2c(cc1OC)C(c1cccnc1)N(C(=O)c1ccn[nH]1)CC2
InChIInChI=1S/C20H20N4O3/c1-26-17-10-13-6-9-24(20(25)16-5-8-22-23-16)19(14-4-3-7-21-12-14)15(13)11-18(17)27-2/h3-5,7-8,10-12,19H,6,9H2,1-2H3,(H,22,23)
InChIKeyOYHOGBZQJXCONC-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.61
Rot. Bonds4

About (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone

(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone (PubChem CID 86286576) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone
PubChem CID86286576
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone
SMILESCOc1cc2c(cc1OC)C(c1cccnc1)N(C(=O)c1ccn[nH]1)CC2
InChIInChI=1S/C20H20N4O3/c1-26-17-10-13-6-9-24(20(25)16-5-8-22-23-16)19(14-4-3-7-21-12-14)15(13)11-18(17)27-2/h3-5,7-8,10-12,19H,6,9H2,1-2H3,(H,22,23)
InChIKeyOYHOGBZQJXCONC-UHFFFAOYSA-N
XLogP2.61
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 40792766
(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 2348550
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(1H-pyrazol-5-yl)methanone
CID 56819364
1-(6,7-dimethoxy-1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 46967402
[(1S)-6,7-dimethoxy-1-(2-methylpyrazol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 95803394
(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289077
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
1-[1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 3113915
[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 92773311
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methoxyphenyl)methanone
CID 992902
(4-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400524

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone?
The IUPAC name of (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone (CID 86286576) is (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone is COc1cc2c(cc1OC)C(c1cccnc1)N(C(=O)c1ccn[nH]1)CC2.
What is the InChIKey of (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone?
The InChIKey is OYHOGBZQJXCONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-10-13-6-9-24(20(25)16-5-8-22-23-16)19(14-4-3-7-21-12-14)15(13)11-18(17)27-2/h3-5,7-8,10-12,19H,6,9H2,1-2H3,(H,22,23).
What are the key properties of (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone?
(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone has a molecular weight of 364.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 86286576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).