N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H25F2N5OS — CID 4769135

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4769135) has the molecular formula C24H25F2N5OS and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 4769135
• Molecular Formula: C24H25F2N5OS
• Molecular Weight: 469.56 g/mol
• Exact Mass: 469.17
• IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2nc(C3CC3)cc(C(F)F)n2n1
• InChI: InChI=1S/C24H25F2N5OS/c25-21(26)18-6-16(15-1-2-15)27-20-7-17(30-31(18)20)22(32)29-23-28-19(11-33-23)24-8-12-3-13(9-24)5-14(4-12)10-24/h6-7,11-15,21H,1-5,8-10H2,(H,28,29,32)
• InChIKey: DNQMFHSRUBCNLW-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.56
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4769135) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2nc(C3CC3)cc(C(F)F)n2n1.

What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is DNQMFHSRUBCNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5OS/c25-21(26)18-6-16(15-1-2-15)27-20-7-17(30-31(18)20)22(32)29-23-28-19(11-33-23)24-8-12-3-13(9-24)5-14(4-12)10-24/h6-7,11-15,21H,1-5,8-10H2,(H,28,29,32).

What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4769135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).