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

C26H32FN9O3 — CID 169172215

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

2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 169172215) has the molecular formula C26H32FN9O3 and a molecular weight of 537.60 g/mol. Its IUPAC name is 2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 169172215
• Molecular Formula: C26H32FN9O3
• Molecular Weight: 537.60 g/mol
• Exact Mass: 537.26
• IUPAC Name: 2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cnc2c(C(=O)Nc3cncc(F)c3N3CCC(C(=O)N4CCN(C5COC5)CC4)CC3)c(N)nn2c1
• InChI: InChI=1S/C26H32FN9O3/c1-16-10-30-24-21(23(28)32-36(24)13-16)25(37)31-20-12-29-11-19(27)22(20)34-4-2-17(3-5-34)26(38)35-8-6-33(7-9-35)18-14-39-15-18/h10-13,17-18H,2-9,14-15H2,1H3,(H2,28,32)(H,31,37)
• InChIKey: ATOHPZOHWNEWPE-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 134.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.60
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 169172215) is 2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)Nc3cncc(F)c3N3CCC(C(=O)N4CCN(C5COC5)CC4)CC3)c(N)nn2c1.

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

The InChIKey is ATOHPZOHWNEWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN9O3/c1-16-10-30-24-21(23(28)32-36(24)13-16)25(37)31-20-12-29-11-19(27)22(20)34-4-2-17(3-5-34)26(38)35-8-6-33(7-9-35)18-14-39-15-18/h10-13,17-18H,2-9,14-15H2,1H3,(H2,28,32)(H,31,37).

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

2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 537.60 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 169172215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).