3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one

C24H22N6O2S — CID 138571222

IUPAC3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)nc3)s1)CC2
InChIInChI=1S/C24H22N6O2S/c31-24-29(10-11-32-24)20-4-3-18-6-9-28(16-19(18)13-20)23-26-15-21(33-23)12-17-2-5-22(25-14-17)30-8-1-7-27-30/h1-5,7-8,13-15H,6,9-12,16H2
InChIKeySPQZXEPFXWHGBY-UHFFFAOYSA-N
MW458.55 g/mol
LogP3.83
Rot. Bonds5

About 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one

3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one (PubChem CID 138571222) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
PubChem CID138571222
Molecular FormulaC24H22N6O2S
Molecular Weight458.55 g/mol
Exact Mass458.15
IUPAC Name3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)nc3)s1)CC2
InChIInChI=1S/C24H22N6O2S/c31-24-29(10-11-32-24)20-4-3-18-6-9-28(16-19(18)13-20)23-26-15-21(33-23)12-17-2-5-22(25-14-17)30-8-1-7-27-30/h1-5,7-8,13-15H,6,9-12,16H2
InChIKeySPQZXEPFXWHGBY-UHFFFAOYSA-N
XLogP3.83
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

US11459321, Example 73
CID 138571167
US11459321, Example 35
CID 138571194
US11459321, Example 57
CID 138571198
US11459321, Example 24
CID 138571203
US11459321, Example 26
CID 138571204
US11459321, Example 25
CID 138571205
US11459321, Example 32
CID 138571210
US11459321, Example 31
CID 138571211
US11459321, Example 29
CID 138571223
US11459321, Example 72
CID 138571266
US11459321, Example 40
CID 138571545
US11459321, Example 7
CID 138571201

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one (CID 138571222) is 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)nc3)s1)CC2.
What is the InChIKey of 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The InChIKey is SPQZXEPFXWHGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c31-24-29(10-11-32-24)20-4-3-18-6-9-28(16-19(18)13-20)23-26-15-21(33-23)12-17-2-5-22(25-14-17)30-8-1-7-27-30/h1-5,7-8,13-15H,6,9-12,16H2.
What are the key properties of 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one has a molecular weight of 458.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138571222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).