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

C21H26FN7O3 — CID 146383474

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

5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383474) has the molecular formula C21H26FN7O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is 5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146383474
• Molecular Formula: C21H26FN7O3
• Molecular Weight: 443.48 g/mol
• Exact Mass: 443.21
• IUPAC Name: 5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@H]3CC3F)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12
• InChI: InChI=1S/C21H26FN7O3/c1-21(2,11-30)10-24-19(31)12-9-25-29-17(23-3)8-16(27-18(12)29)26-14-5-4-6-28(20(14)32)15-7-13(15)22/h4-6,8-9,13,15,23,30H,7,10-11H2,1-3H3,(H,24,31)(H,26,27)/t13?,15-/m0/s1
• InChIKey: MPSKBHGTTIEAMV-WUJWULDRSA-N
• XLogP: 1.71
• 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	443.48
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383474) is 5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CC3F)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12.

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

The InChIKey is MPSKBHGTTIEAMV-WUJWULDRSA-N. The full InChI is InChI=1S/C21H26FN7O3/c1-21(2,11-30)10-24-19(31)12-9-25-29-17(23-3)8-16(27-18(12)29)26-14-5-4-6-28(20(14)32)15-7-13(15)22/h4-6,8-9,13,15,23,30H,7,10-11H2,1-3H3,(H,24,31)(H,26,27)/t13?,15-/m0/s1.

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

5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 1.71, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).