[(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

C24H28F3N5OS — CID 169049570

About [(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

[(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 (PubChem CID 169049570) has the molecular formula C24H28F3N5OS and a molecular weight of 491.58 g/mol. Its IUPAC name is [(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.

Molecular Properties

• Compound Name: [(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
• PubChem CID: 169049570
• Molecular Formula: C24H28F3N5OS
• Molecular Weight: 491.58 g/mol
• Exact Mass: 491.20
• IUPAC Name: [(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
• SMILES: Cc1cc([C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C)n2nc(C3CCC(C(F)(F)F)CC3)cc2n1
• InChI: InChI=1S/C24H28F3N5OS/c1-14-7-8-31(23(33)20-12-34-13-28-20)11-18(14)21-9-15(2)29-22-10-19(30-32(21)22)16-3-5-17(6-4-16)24(25,26)27/h9-10,12-14,16-18H,3-8,11H2,1-2H3/t14-,16?,17?,18-/m0/s1
• InChIKey: WBCZDNYGWJMZFP-KUQKPQIMSA-N
• XLogP: 5.60
• TPSA: 63.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.58
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is Cc1cc([C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C)n2nc(C3CCC(C(F)(F)F)CC3)cc2n1.

What is the InChIKey of [(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?

The InChIKey is WBCZDNYGWJMZFP-KUQKPQIMSA-N. The full InChI is InChI=1S/C24H28F3N5OS/c1-14-7-8-31(23(33)20-12-34-13-28-20)11-18(14)21-9-15(2)29-22-10-19(30-32(21)22)16-3-5-17(6-4-16)24(25,26)27/h9-10,12-14,16-18H,3-8,11H2,1-2H3/t14-,16?,17?,18-/m0/s1.

What are the key properties of [(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?

[(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 has a molecular weight of 491.58 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 169049570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).