N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C24H24FN9O3 — CID 170635473

About N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170635473) has the molecular formula C24H24FN9O3 and a molecular weight of 505.51 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 170635473
• Molecular Formula: C24H24FN9O3
• Molecular Weight: 505.51 g/mol
• Exact Mass: 505.20
• IUPAC Name: N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: Cn1cc(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5CC6CCC(C5)O6)cnc4F)c3cn2)cn1
• InChI: InChI=1S/C24H24FN9O3/c1-32-9-14(5-28-32)20-12-34-21(8-26-20)18(7-29-34)24(36)31-19-4-15(6-27-23(19)25)30-22(35)13-33-10-16-2-3-17(11-33)37-16/h4-9,12,16-17H,2-3,10-11,13H2,1H3,(H,30,35)(H,31,36)
• InChIKey: BDRYDFAKQXBTCY-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 131.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.51
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170635473) is N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is Cn1cc(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5CC6CCC(C5)O6)cnc4F)c3cn2)cn1.

What is the InChIKey of N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is BDRYDFAKQXBTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O3/c1-32-9-14(5-28-32)20-12-34-21(8-26-20)18(7-29-34)24(36)31-19-4-15(6-27-23(19)25)30-22(35)13-33-10-16-2-3-17(11-33)37-16/h4-9,12,16-17H,2-3,10-11,13H2,1H3,(H,30,35)(H,31,36).

What are the key properties of N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?

N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 505.51 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170635473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).