1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one

C26H23F3N6O2 — CID 165040270

IUPAC1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one
SMILESCn1cc(-c2cnc3c(-c4ccc(CC(=O)Cc5cc(C(C)(C)C(F)(F)F)on5)cc4)cnn3c2)cn1
InChIInChI=1S/C26H23F3N6O2/c1-25(2,26(27,28)29)23-10-20(33-37-23)9-21(36)8-16-4-6-17(7-5-16)22-13-32-35-15-18(11-30-24(22)35)19-12-31-34(3)14-19/h4-7,10-15H,8-9H2,1-3H3
InChIKeyNZWQCWZBXQXRON-UHFFFAOYSA-N
MW508.50 g/mol
LogP4.98
Rot. Bonds7

About 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one

1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one (PubChem CID 165040270) has the molecular formula C26H23F3N6O2 and a molecular weight of 508.50 g/mol. Its IUPAC name is 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one
PubChem CID165040270
Molecular FormulaC26H23F3N6O2
Molecular Weight508.50 g/mol
Exact Mass508.18
IUPAC Name1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one
SMILESCn1cc(-c2cnc3c(-c4ccc(CC(=O)Cc5cc(C(C)(C)C(F)(F)F)on5)cc4)cnn3c2)cn1
InChIInChI=1S/C26H23F3N6O2/c1-25(2,26(27,28)29)23-10-20(33-37-23)9-21(36)8-16-4-6-17(7-5-16)22-13-32-35-15-18(11-30-24(22)35)19-12-31-34(3)14-19/h4-7,10-15H,8-9H2,1-3H3
InChIKeyNZWQCWZBXQXRON-UHFFFAOYSA-N
XLogP4.98
TPSA91.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one with MolForge

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Related Compounds

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2-(2,3-Difluoro-phenyl)-5-(3-p-tolyl-isoxazol-5-ylmethyl)-5H-imidazo[4,5-d]pyridazine
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3-(5-Cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126591909
3-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592018
3-(5-Benzyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
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3-(5-Phenyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592031
N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546472
3-[2-[(2-fluorophenyl)methyl]-5-[5-fluoro-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-yl]pyrazol-3-yl]-1,2-oxazole
CID 86267314
9-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 89708927
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 90445824
US11214563, Example 40
CID 155387048

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one?
The IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one (CID 165040270) is 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one?
The canonical SMILES for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one is Cn1cc(-c2cnc3c(-c4ccc(CC(=O)Cc5cc(C(C)(C)C(F)(F)F)on5)cc4)cnn3c2)cn1.
What is the InChIKey of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one?
The InChIKey is NZWQCWZBXQXRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2/c1-25(2,26(27,28)29)23-10-20(33-37-23)9-21(36)8-16-4-6-17(7-5-16)22-13-32-35-15-18(11-30-24(22)35)19-12-31-34(3)14-19/h4-7,10-15H,8-9H2,1-3H3.
What are the key properties of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one?
1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one has a molecular weight of 508.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propan-2-one is sourced from PubChem (CID 165040270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).