2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H37F2N9O3 — CID 163413738

About 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163413738) has the molecular formula C26H37F2N9O3 and a molecular weight of 561.64 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 163413738
• Molecular Formula: C26H37F2N9O3
• Molecular Weight: 561.64 g/mol
• Exact Mass: 561.30
• IUPAC Name: 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CC(F)C(N2CCC(C(=O)N3CCN(C4COC4)CC3)CC2)C(NC(=O)c2c(N)nn3cc(F)cnc23)C1
• InChI: InChI=1S/C26H37F2N9O3/c1-33-12-19(28)22(20(13-33)31-25(38)21-23(29)32-37-11-17(27)10-30-24(21)37)35-4-2-16(3-5-35)26(39)36-8-6-34(7-9-36)18-14-40-15-18/h10-11,16,18-20,22H,2-9,12-15H2,1H3,(H2,29,32)(H,31,38)
• InChIKey: ACQRNNXSICPCNG-UHFFFAOYSA-N
• XLogP: -0.54
• TPSA: 124.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.64
LogP ≤ 5	-0.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163413738) is 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC(F)C(N2CCC(C(=O)N3CCN(C4COC4)CC3)CC2)C(NC(=O)c2c(N)nn3cc(F)cnc23)C1.

What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ACQRNNXSICPCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F2N9O3/c1-33-12-19(28)22(20(13-33)31-25(38)21-23(29)32-37-11-17(27)10-30-24(21)37)35-4-2-16(3-5-35)26(39)36-8-6-34(7-9-36)18-14-40-15-18/h10-11,16,18-20,22H,2-9,12-15H2,1H3,(H2,29,32)(H,31,38).

What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 561.64 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163413738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).