[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C18H18F3N5OS — CID 46955710

IUPAC[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3cscn3)cc2n1
InChIInChI=1S/C18H18F3N5OS/c1-10(2)11-6-15(18(19,20)21)26-16(23-11)7-12(24-26)14-4-3-5-25(14)17(27)13-8-28-9-22-13/h6-10,14H,3-5H2,1-2H3
InChIKeyYDOYTQLQPXRCSC-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.31
Rot. Bonds3

About [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 46955710) has the molecular formula C18H18F3N5OS and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID46955710
Molecular FormulaC18H18F3N5OS
Molecular Weight409.44 g/mol
Exact Mass409.12
IUPAC Name[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3cscn3)cc2n1
InChIInChI=1S/C18H18F3N5OS/c1-10(2)11-6-15(18(19,20)21)26-16(23-11)7-12(24-26)14-4-3-5-25(14)17(27)13-8-28-9-22-13/h6-10,14H,3-5H2,1-2H3
InChIKeyYDOYTQLQPXRCSC-UHFFFAOYSA-N
XLogP4.31
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

3-[7-(Difluoromethyl)-[1,2,4]triazolo[1,5-A]pyrimidin-5-YL]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine
CID 110235258
1-(1,3-Thiazole-4-carbonyl)-4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]piperidine
CID 16670869
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 56741061
[5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 89830261
(2-amino-1,3-thiazol-4-yl)-[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]methanone
CID 139482793
[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)methanone
CID 167179431
[(3R,4S)-4-methyl-3-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 169049570
[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]-(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)methanone
CID 170061283
1-(1,3-Thiazole-4-carbonyl)-3-{[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}piperidine
CID 16670087
1-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)-4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidin-2-YL]piperidine
CID 46955677
4-[5-Ethyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidin-2-YL]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine
CID 46955678
(2,4-Dimethyl-1,3-thiazol-5-yl)-[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 46955706

Frequently Asked Questions

What is the IUPAC name of [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 46955710) is [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is CC(C)c1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3cscn3)cc2n1.
What is the InChIKey of [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is YDOYTQLQPXRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5OS/c1-10(2)11-6-15(18(19,20)21)26-16(23-11)7-12(24-26)14-4-3-5-25(14)17(27)13-8-28-9-22-13/h6-10,14H,3-5H2,1-2H3.
What are the key properties of [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 409.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 46955710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).