2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C31H47FN8O3 — CID 134339842

About 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134339842) has the molecular formula C31H47FN8O3 and a molecular weight of 598.77 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 134339842
• Molecular Formula: C31H47FN8O3
• Molecular Weight: 598.77 g/mol
• Exact Mass: 598.38
• IUPAC Name: 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Nc1nn2cc(F)cnc2c1C(=O)NC1CNCC2(CCCCCCCCC2)C1N1CCC(C(=O)N2CCCOC2)CC1
• InChI: InChI=1S/C31H47FN8O3/c32-23-17-35-28-25(27(33)37-40(28)19-23)29(41)36-24-18-34-20-31(11-6-4-2-1-3-5-7-12-31)26(24)38-14-9-22(10-15-38)30(42)39-13-8-16-43-21-39/h17,19,22,24,26,34H,1-16,18,20-21H2,(H2,33,37)(H,36,41)
• InChIKey: AMWKKCIEWAJJJK-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 130.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.77
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134339842) is 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)NC1CNCC2(CCCCCCCCC2)C1N1CCC(C(=O)N2CCCOC2)CC1.

What is the InChIKey of 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AMWKKCIEWAJJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47FN8O3/c32-23-17-35-28-25(27(33)37-40(28)19-23)29(41)36-24-18-34-20-31(11-6-4-2-1-3-5-7-12-31)26(24)38-14-9-22(10-15-38)30(42)39-13-8-16-43-21-39/h17,19,22,24,26,34H,1-16,18,20-21H2,(H2,33,37)(H,36,41).

What are the key properties of 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 598.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134339842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).