[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C19H24F3N5OS — CID 136761153

IUPAC[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCCN3C(=O)c3cscn3)cc2N1
InChIInChI=1S/C19H24F3N5OS/c1-11(2)12-7-16(19(20,21)22)27-17(24-12)8-13(25-27)15-5-3-4-6-26(15)18(28)14-9-29-10-23-14/h8-12,15-16,24H,3-7H2,1-2H3/t12-,15?,16+/m0/s1
InChIKeyLGSDXEOMKILOSF-ZDKIRESNSA-N
MW427.50 g/mol
LogP4.65
Rot. Bonds3

About [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 136761153) has the molecular formula C19H24F3N5OS and a molecular weight of 427.50 g/mol. Its IUPAC name is [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID136761153
Molecular FormulaC19H24F3N5OS
Molecular Weight427.50 g/mol
Exact Mass427.17
IUPAC Name[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCCN3C(=O)c3cscn3)cc2N1
InChIInChI=1S/C19H24F3N5OS/c1-11(2)12-7-16(19(20,21)22)27-17(24-12)8-13(25-27)15-5-3-4-6-26(15)18(28)14-9-29-10-23-14/h8-12,15-16,24H,3-7H2,1-2H3/t12-,15?,16+/m0/s1
InChIKeyLGSDXEOMKILOSF-ZDKIRESNSA-N
XLogP4.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 136761153) is [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCCN3C(=O)c3cscn3)cc2N1.
What is the InChIKey of [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is LGSDXEOMKILOSF-ZDKIRESNSA-N. The full InChI is InChI=1S/C19H24F3N5OS/c1-11(2)12-7-16(19(20,21)22)27-17(24-12)8-13(25-27)15-5-3-4-6-26(15)18(28)14-9-29-10-23-14/h8-12,15-16,24H,3-7H2,1-2H3/t12-,15?,16+/m0/s1.
What are the key properties of [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 427.50 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 136761153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).