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

C19H17FN8O3 — CID 137450014

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

N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450014) has the molecular formula C19H17FN8O3 and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137450014
• Molecular Formula: C19H17FN8O3
• Molecular Weight: 424.40 g/mol
• Exact Mass: 424.14
• IUPAC Name: N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3cnco3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
• InChI: InChI=1S/C19H17FN8O3/c1-21-15-6-14(24-12-3-2-4-27(19(12)30)16-8-22-9-31-16)26-17-10(7-23-28(15)17)18(29)25-13-5-11(13)20/h2-4,6-9,11,13,21H,5H2,1H3,(H,24,26)(H,25,29)/t11-,13+/m0/s1
• InChIKey: WUSMGSPDRRXDJI-WCQYABFASA-N
• XLogP: 1.49
• TPSA: 131.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.40
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450014) is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cnco3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.

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

The InChIKey is WUSMGSPDRRXDJI-WCQYABFASA-N. The full InChI is InChI=1S/C19H17FN8O3/c1-21-15-6-14(24-12-3-2-4-27(19(12)30)16-8-22-9-31-16)26-17-10(7-23-28(15)17)18(29)25-13-5-11(13)20/h2-4,6-9,11,13,21H,5H2,1H3,(H,24,26)(H,25,29)/t11-,13+/m0/s1.

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

N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).