N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19FN8O3 — CID 137450034

About N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(4-methyl-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-(4-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450034) has the molecular formula C20H19FN8O3 and a molecular weight of 438.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(4-methyl-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-(4-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137450034
• Molecular Formula: C20H19FN8O3
• Molecular Weight: 438.42 g/mol
• Exact Mass: 438.16
• IUPAC Name: N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3ocnc3C)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
• InChI: InChI=1S/C20H19FN8O3/c1-10-20(32-9-23-10)28-5-3-4-13(19(28)31)25-15-7-16(22-2)29-17(27-15)11(8-24-29)18(30)26-14-6-12(14)21/h3-5,7-9,12,14,22H,6H2,1-2H3,(H,25,27)(H,26,30)/t12-,14+/m0/s1
• InChIKey: IVNAXHIXXOIQKS-GXTWGEPZSA-N
• XLogP: 1.80
• TPSA: 131.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.42
LogP ≤ 5	1.80
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-(4-methyl-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-(4-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450034) is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(4-methyl-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-(4-methyl-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-(4-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ocnc3C)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-(4-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IVNAXHIXXOIQKS-GXTWGEPZSA-N. The full InChI is InChI=1S/C20H19FN8O3/c1-10-20(32-9-23-10)28-5-3-4-13(19(28)31)25-15-7-16(22-2)29-17(27-15)11(8-24-29)18(30)26-14-6-12(14)21/h3-5,7-9,12,14,22H,6H2,1-2H3,(H,25,27)(H,26,30)/t12-,14+/m0/s1.

What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(4-methyl-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-(4-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.42 g/mol, XLogP of 1.80, 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-(4-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).