[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C23H21N5O3 — CID 171620958

IUPAC[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3Cc4ccccc4C(c4cnn(C)c4)C3)no2)cn1
InChIInChI=1S/C23H21N5O3/c1-27-12-17(11-25-27)19-14-28(13-16-5-3-4-6-18(16)19)23(29)20-9-21(31-26-20)15-7-8-22(30-2)24-10-15/h3-12,19H,13-14H2,1-2H3
InChIKeyNMWJRRYZFDEBAK-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.27
Rot. Bonds4

About [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 171620958) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID171620958
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3Cc4ccccc4C(c4cnn(C)c4)C3)no2)cn1
InChIInChI=1S/C23H21N5O3/c1-27-12-17(11-25-27)19-14-28(13-16-5-3-4-6-18(16)19)23(29)20-9-21(31-26-20)15-7-8-22(30-2)24-10-15/h3-12,19H,13-14H2,1-2H3
InChIKeyNMWJRRYZFDEBAK-UHFFFAOYSA-N
XLogP3.27
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 171620961
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 121198515
(6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 121023005
(2-bromo-5-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 121198355
2-methyl-6-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridazin-3-one
CID 119105754
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121198456
(2,4-dimethylphenyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 121198451
1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-phenylphenoxy)ethanone
CID 121198404
[4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone
CID 174244138
isoquinolin-1-yl-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 121198520
2-(3,4-dimethoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 119105750
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methylsulfanylphenyl)methanone
CID 121198510

Frequently Asked Questions

What is the IUPAC name of [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 171620958) is [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COc1ccc(-c2cc(C(=O)N3Cc4ccccc4C(c4cnn(C)c4)C3)no2)cn1.
What is the InChIKey of [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is NMWJRRYZFDEBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-27-12-17(11-25-27)19-14-28(13-16-5-3-4-6-18(16)19)23(29)20-9-21(31-26-20)15-7-8-22(30-2)24-10-15/h3-12,19H,13-14H2,1-2H3.
What are the key properties of [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 415.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 171620958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).