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

C25H24N6OS — CID 138571205

IUPAC1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2
InChIInChI=1S/C25H24N6OS/c32-24-26-10-13-30(24)22-7-4-19-8-12-29(17-20(19)15-22)25-27-16-23(33-25)14-18-2-5-21(6-3-18)31-11-1-9-28-31/h1-7,9,11,15-16H,8,10,12-14,17H2,(H,26,32)
InChIKeyHEBUQULKVNFTNE-UHFFFAOYSA-N
MW456.58 g/mol
LogP4.01
Rot. Bonds5

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

1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one (PubChem CID 138571205) has the molecular formula C25H24N6OS and a molecular weight of 456.58 g/mol. Its IUPAC name is 1-[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-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one
PubChem CID138571205
Molecular FormulaC25H24N6OS
Molecular Weight456.58 g/mol
Exact Mass456.17
IUPAC Name1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2
InChIInChI=1S/C25H24N6OS/c32-24-26-10-13-30(24)22-7-4-19-8-12-29(17-20(19)15-22)25-27-16-23(33-25)14-18-2-5-21(6-3-18)31-11-1-9-28-31/h1-7,9,11,15-16H,8,10,12-14,17H2,(H,26,32)
InChIKeyHEBUQULKVNFTNE-UHFFFAOYSA-N
XLogP4.01
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[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
US11459321, Example 73
CID 138571167
US11459321, Example 9
CID 138571186
US11459321, Example 24
CID 138571203
US11459321, Example 26
CID 138571204
US11459321, Example 41
CID 138571222
US11459321, Example 16
CID 138571260
US11459321, Example 72
CID 138571266
US11459321, Example 4
CID 166177686
US11459321, Example 5
CID 166177784
(2S)-N-isoquinolin-5-yl-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 168283881

Frequently Asked Questions

What is the IUPAC name of 1-[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-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one (CID 138571205) is 1-[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-[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-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one is O=C1NCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.
What is the InChIKey of 1-[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 HEBUQULKVNFTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6OS/c32-24-26-10-13-30(24)22-7-4-19-8-12-29(17-20(19)15-22)25-27-16-23(33-25)14-18-2-5-21(6-3-18)31-11-1-9-28-31/h1-7,9,11,15-16H,8,10,12-14,17H2,(H,26,32).
What are the key properties of 1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one?
1-[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 456.58 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[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 138571205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).