N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24F3N7O3 — CID 153486236

About N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153486236) has the molecular formula C21H24F3N7O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 153486236
• Molecular Formula: C21H24F3N7O3
• Molecular Weight: 479.46 g/mol
• Exact Mass: 479.19
• IUPAC Name: N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)NC3CC[C@@]3(O)C(F)(F)F)cnn12
• InChI: InChI=1S/C21H24F3N7O3/c1-11(2)30-8-4-5-13(19(30)33)27-15-9-16(25-3)31-17(29-15)12(10-26-31)18(32)28-14-6-7-20(14,34)21(22,23)24/h4-5,8-11,14,25,34H,6-7H2,1-3H3,(H,27,29)(H,28,32)/t14?,20-/m0/s1
• InChIKey: BHKABFSVFGTBFR-LGTGAQBVSA-N
• XLogP: 2.44
• TPSA: 125.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.46
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153486236) is N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)NC3CC[C@@]3(O)C(F)(F)F)cnn12.

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

The InChIKey is BHKABFSVFGTBFR-LGTGAQBVSA-N. The full InChI is InChI=1S/C21H24F3N7O3/c1-11(2)30-8-4-5-13(19(30)33)27-15-9-16(25-3)31-17(29-15)12(10-26-31)18(32)28-14-6-7-20(14,34)21(22,23)24/h4-5,8-11,14,25,34H,6-7H2,1-3H3,(H,27,29)(H,28,32)/t14?,20-/m0/s1.

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

N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153486236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).