5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H19ClF3N5O4 — CID 121361628

About 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121361628) has the molecular formula C23H19ClF3N5O4 and a molecular weight of 521.88 g/mol. Its IUPAC name is 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 121361628
• Molecular Formula: C23H19ClF3N5O4
• Molecular Weight: 521.88 g/mol
• Exact Mass: 521.11
• IUPAC Name: 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)(O)[C@@H](NC(=O)c1cnn2ccc(-n3cccc(Cl)c3=O)nc12)c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C23H19ClF3N5O4/c1-22(2,35)18(13-5-7-14(8-6-13)36-23(25,26)27)30-20(33)15-12-28-32-11-9-17(29-19(15)32)31-10-3-4-16(24)21(31)34/h3-12,18,35H,1-2H3,(H,30,33)/t18-/m0/s1
• InChIKey: MGESGMGZINMSSD-SFHVURJKSA-N
• XLogP: 3.67
• TPSA: 110.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.88
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121361628) is 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)[C@@H](NC(=O)c1cnn2ccc(-n3cccc(Cl)c3=O)nc12)c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is MGESGMGZINMSSD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H19ClF3N5O4/c1-22(2,35)18(13-5-7-14(8-6-13)36-23(25,26)27)30-20(33)15-12-28-32-11-9-17(29-19(15)32)31-10-3-4-16(24)21(31)34/h3-12,18,35H,1-2H3,(H,30,33)/t18-/m0/s1.

What are the key properties of 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 521.88 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121361628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).