5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24FN7O3 — CID 137441571

About 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441571) has the molecular formula C21H24FN7O3 and a molecular weight of 441.47 g/mol. Its IUPAC name is 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137441571
• Molecular Formula: C21H24FN7O3
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.19
• IUPAC Name: 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@H]3C[C@@H]3F)c2=O)nc2c(C(=O)NCC3(CO)CC3)cnn12
• InChI: InChI=1S/C21H24FN7O3/c1-23-17-8-16(26-14-3-2-6-28(20(14)32)15-7-13(15)22)27-18-12(9-25-29(17)18)19(31)24-10-21(11-30)4-5-21/h2-3,6,8-9,13,15,23,30H,4-5,7,10-11H2,1H3,(H,24,31)(H,26,27)/t13-,15-/m0/s1
• InChIKey: UIRRPZDBTKLRHH-ZFWWWQNUSA-N
• XLogP: 1.46
• TPSA: 125.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441571) is 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3C[C@@H]3F)c2=O)nc2c(C(=O)NCC3(CO)CC3)cnn12.

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

The InChIKey is UIRRPZDBTKLRHH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C21H24FN7O3/c1-23-17-8-16(26-14-3-2-6-28(20(14)32)15-7-13(15)22)27-18-12(9-25-29(17)18)19(31)24-10-21(11-30)4-5-21/h2-3,6,8-9,13,15,23,30H,4-5,7,10-11H2,1H3,(H,24,31)(H,26,27)/t13-,15-/m0/s1.

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

5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 1.46, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).