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

C19H22FN7O2 — CID 165108884

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

N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 165108884) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 165108884
• Molecular Formula: C19H22FN7O2
• Molecular Weight: 399.43 g/mol
• Exact Mass: 399.18
• IUPAC Name: N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3CC(C)(F)C3)cnn12
• InChI: InChI=1S/C19H22FN7O2/c1-19(20)8-11(9-19)23-17(28)12-10-22-27-15(21-2)7-14(25-16(12)27)24-13-5-4-6-26(3)18(13)29/h4-7,10-11,21H,8-9H2,1-3H3,(H,23,28)(H,24,25)
• InChIKey: JYRMXGJHRYNHNY-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 105.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.43
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 165108884) is N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3CC(C)(F)C3)cnn12.

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

The InChIKey is JYRMXGJHRYNHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-19(20)8-11(9-19)23-17(28)12-10-22-27-15(21-2)7-14(25-16(12)27)24-13-5-4-6-26(3)18(13)29/h4-7,10-11,21H,8-9H2,1-3H3,(H,23,28)(H,24,25).

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

N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165108884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).