5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C24H22N4O3S — CID 53043176

IUPAC5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O
InChIInChI=1S/C24H22N4O3S/c1-15(2)30-18-8-6-17(7-9-18)23-25-20(16(3)31-23)14-27-10-11-28-21(24(27)29)13-19(26-28)22-5-4-12-32-22/h4-13,15H,14H2,1-3H3
InChIKeyCABHCPLLZYESFG-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.02
Rot. Bonds6

About 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53043176) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53043176
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O
InChIInChI=1S/C24H22N4O3S/c1-15(2)30-18-8-6-17(7-9-18)23-25-20(16(3)31-23)14-27-10-11-28-21(24(27)29)13-19(26-28)22-5-4-12-32-22/h4-13,15H,14H2,1-3H3
InChIKeyCABHCPLLZYESFG-UHFFFAOYSA-N
XLogP5.02
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 3236501
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 71796650
1-[5-[2-(4-Methoxyphenyl)-1,3-benzoxazol-5-yl]-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 171345168
2-({5-Methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-YL}methyl)-1H,2H,7H,8H,9H,10H-pyrazino[1,2-B]indazol-1-one
CID 91890156
N-{2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}-2-(thiophen-2-yl)acetamide
CID 91892735
2-(4-ethylphenyl)-5-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27371196
4-({[2-(4-Isopropoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
CID 45498575
1-((2-(4-Isopropoxyphenyl)-5-methyloxazol-4-yl)methyl)-8-phenylpyrazolo[1,5-d][1,2,4]triazinone
CID 71802718
2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 16956487
N-{[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyl-1-(2-thienyl)ethanamine
CID 45192508
5-((2-(4-ethoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53092974
2-(4-fluorophenyl)-5-({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 53092977

Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 53043176) is 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O.
What is the InChIKey of 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CABHCPLLZYESFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-15(2)30-18-8-6-17(7-9-18)23-25-20(16(3)31-23)14-27-10-11-28-21(24(27)29)13-19(26-28)22-5-4-12-32-22/h4-13,15H,14H2,1-3H3.
What are the key properties of 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 446.53 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53043176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).