5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22FN7O3 — CID 154678760

About 5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154678760) has the molecular formula C18H22FN7O3 and a molecular weight of 403.42 g/mol. Its IUPAC name is 5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 154678760
• Molecular Formula: C18H22FN7O3
• Molecular Weight: 403.42 g/mol
• Exact Mass: 403.18
• IUPAC Name: 5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cc(F)cn(C)c2=O)nc2c(C(=O)NCC(C)(C)O)cnn12
• InChI: InChI=1S/C18H22FN7O3/c1-18(2,29)9-21-16(27)11-7-22-26-14(20-3)6-13(24-15(11)26)23-12-5-10(19)8-25(4)17(12)28/h5-8,20,29H,9H2,1-4H3,(H,21,27)(H,23,24)
• InChIKey: UJJLIEVCGRLSML-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 125.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.42
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154678760) is 5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cn(C)c2=O)nc2c(C(=O)NCC(C)(C)O)cnn12.

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

The InChIKey is UJJLIEVCGRLSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7O3/c1-18(2,29)9-21-16(27)11-7-22-26-14(20-3)6-13(24-15(11)26)23-12-5-10(19)8-25(4)17(12)28/h5-8,20,29H,9H2,1-4H3,(H,21,27)(H,23,24).

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

5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.42 g/mol, XLogP of 0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154678760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).