N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C₂₀H₂₂FN₇O₃ — CID 153486168

About N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153486168) has the molecular formula C₂₀H₂₂FN₇O₃ and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 153486168
• Molecular Formula: C₂₀H₂₂FN₇O₃
• Molecular Weight: 427.44 g/mol
• Exact Mass: 427.18
• IUPAC Name: N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3COC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3F)cnn12
• InChI: InChI=1S/C20H22FN7O3/c1-22-17-7-16(24-15-3-2-6-27(20(15)30)11-9-31-10-11)26-18-12(8-23-28(17)18)19(29)25-14-5-4-13(14)21/h2-3,6-8,11,13-14,22H,4-5,9-10H2,1H3,(H,24,26)(H,25,29)/t13-,14+/m0/s1
• InChIKey: CPJQIUVHCQHGPD-UONOGXRCSA-N
• XLogP: 1.48
• TPSA: 114.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.44
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153486168) is N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3COC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3F)cnn12.

What is the InChIKey of N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is CPJQIUVHCQHGPD-UONOGXRCSA-N. The full InChI is InChI=1S/C20H22FN7O3/c1-22-17-7-16(24-15-3-2-6-27(20(15)30)11-9-31-10-11)26-18-12(8-23-28(17)18)19(29)25-14-5-4-13(14)21/h2-3,6-8,11,13-14,22H,4-5,9-10H2,1H3,(H,24,26)(H,25,29)/t13-,14+/m0/s1.

What are the key properties of N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153486168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153486168 — identifiers, structure, computed properties (public domain)

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