5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18F4N8O — CID 122516649

About 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122516649) has the molecular formula C17H18F4N8O and a molecular weight of 426.38 g/mol. Its IUPAC name is 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 122516649
• Molecular Formula: C17H18F4N8O
• Molecular Weight: 426.38 g/mol
• Exact Mass: 426.15
• IUPAC Name: 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@@H](F)C4)nc23)c(C(F)(F)F)n1
• InChI: InChI=1S/C17H18F4N8O/c1-28-8-12(14(27-28)17(19,20)21)25-16(30)11-7-23-29-3-2-13(26-15(11)29)24-10-4-9(18)5-22-6-10/h2-3,7-10,22H,4-6H2,1H3,(H,24,26)(H,25,30)/t9-,10+/m0/s1
• InChIKey: YDTFWUOUKYEIOK-VHSXEESVSA-N
• XLogP: 1.85
• TPSA: 101.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.38
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122516649) is 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@@H](F)C4)nc23)c(C(F)(F)F)n1.

What is the InChIKey of 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is YDTFWUOUKYEIOK-VHSXEESVSA-N. The full InChI is InChI=1S/C17H18F4N8O/c1-28-8-12(14(27-28)17(19,20)21)25-16(30)11-7-23-29-3-2-13(26-15(11)29)24-10-4-9(18)5-22-6-10/h2-3,7-10,22H,4-6H2,1H3,(H,24,26)(H,25,30)/t9-,10+/m0/s1.

What are the key properties of 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122516649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).