1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one

C26H26N6OS — CID 138571204

IUPAC1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one
SMILESCN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)C1=O
InChIInChI=1S/C26H26N6OS/c1-29-13-14-31(26(29)33)23-8-5-20-9-12-30(18-21(20)16-23)25-27-17-24(34-25)15-19-3-6-22(7-4-19)32-11-2-10-28-32/h2-8,10-11,16-17H,9,12-15,18H2,1H3
InChIKeyAOGXQXJCBNEAOS-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.35
Rot. Bonds5

About 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one

1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one (PubChem CID 138571204) has the molecular formula C26H26N6OS and a molecular weight of 470.60 g/mol. Its IUPAC name is 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one
PubChem CID138571204
Molecular FormulaC26H26N6OS
Molecular Weight470.60 g/mol
Exact Mass470.19
IUPAC Name1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one
SMILESCN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)C1=O
InChIInChI=1S/C26H26N6OS/c1-29-13-14-31(26(29)33)23-8-5-20-9-12-30(18-21(20)16-23)25-27-17-24(34-25)15-19-3-6-22(7-4-19)32-11-2-10-28-32/h2-8,10-11,16-17H,9,12-15,18H2,1H3
InChIKeyAOGXQXJCBNEAOS-UHFFFAOYSA-N
XLogP4.35
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one with MolForge

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Related Compounds

7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 138571253
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-[2-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
CID 118396099
2-(3-Methyl-pyrazol-1-yl)-1-{(R)-2-methyl-4-[5-trifluoromethyl-2-(4-trifluoromethyl-thiazol-2-yl)-1,2,3,4-tetrahydro-isoquinolin-8-yl]-piperazin-1-yl}-ethanone
CID 118396289
2-[8-[(3R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-5-carbonitrile
CID 118396314
US11459321, Example 73
CID 138571167
US11459321, Example 9
CID 138571186
US11459321, Example 57
CID 138571198
US11459321, Example 24
CID 138571203
US11459321, Example 25
CID 138571205
US11459321, Example 41
CID 138571222
US11459321, Example 16
CID 138571260
US11459321, Example 72
CID 138571266

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one (CID 138571204) is 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one is CN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)C1=O.
What is the InChIKey of 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one?
The InChIKey is AOGXQXJCBNEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6OS/c1-29-13-14-31(26(29)33)23-8-5-20-9-12-30(18-21(20)16-23)25-27-17-24(34-25)15-19-3-6-22(7-4-19)32-11-2-10-28-32/h2-8,10-11,16-17H,9,12-15,18H2,1H3.
What are the key properties of 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one?
1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one has a molecular weight of 470.60 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one is sourced from PubChem (CID 138571204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).