4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide

C23H23F7N6O — CID 176845770

About 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide

4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 176845770) has the molecular formula C23H23F7N6O and a molecular weight of 532.46 g/mol. Its IUPAC name is 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide
• PubChem CID: 176845770
• Molecular Formula: C23H23F7N6O
• Molecular Weight: 532.46 g/mol
• Exact Mass: 532.18
• IUPAC Name: 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide
• SMILES: C[C@](CNc1cc(C(F)(F)F)nc2cc(C(F)(F)F)nn12)(c1ccc(F)cc1)C1CCN(C(N)=O)CC1
• InChI: InChI=1S/C23H23F7N6O/c1-21(13-2-4-15(24)5-3-13,14-6-8-35(9-7-14)20(31)37)12-32-18-10-16(22(25,26)27)33-19-11-17(23(28,29)30)34-36(18)19/h2-5,10-11,14,32H,6-9,12H2,1H3,(H2,31,37)/t21-/m0/s1
• InChIKey: LTWTZMMOCLMDKI-NRFANRHFSA-N
• XLogP: 5.07
• TPSA: 88.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.46
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide?

The IUPAC name of 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide (CID 176845770) is 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide?

The canonical SMILES for 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide is C[C@](CNc1cc(C(F)(F)F)nc2cc(C(F)(F)F)nn12)(c1ccc(F)cc1)C1CCN(C(N)=O)CC1.

What is the InChIKey of 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide?

The InChIKey is LTWTZMMOCLMDKI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23F7N6O/c1-21(13-2-4-15(24)5-3-13,14-6-8-35(9-7-14)20(31)37)12-32-18-10-16(22(25,26)27)33-19-11-17(23(28,29)30)34-36(18)19/h2-5,10-11,14,32H,6-9,12H2,1H3,(H2,31,37)/t21-/m0/s1.

What are the key properties of 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide?

4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 532.46 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 176845770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).