5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C46H52F4N12O6 — CID 159631251

About 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159631251) has the molecular formula C46H52F4N12O6 and a molecular weight of 944.99 g/mol. Its IUPAC name is 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159631251
• Molecular Formula: C46H52F4N12O6
• Molecular Weight: 944.99 g/mol
• Exact Mass: 944.41
• IUPAC Name: 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1cc2c(cc1NC(=O)c1cnn3ccc(N4C[C@@H](N)CC(F)(F)C4)nc13)CC(C)(C)O2.COc1cc2c(cc1NC(=O)c1cnn3ccc(N4C[C@H](N)CC(F)(F)C4)nc13)CC(C)(C)O2
• InChI: InChI=1S/2C23H26F2N6O3/c2*1-22(2)8-13-6-16(18(33-3)7-17(13)34-22)28-21(32)15-10-27-31-5-4-19(29-20(15)31)30-11-14(26)9-23(24,25)12-30/h2*4-7,10,14H,8-9,11-12,26H2,1-3H3,(H,28,32)/t2*14-/m10/s1
• InChIKey: MPDRLUNFICXJCE-IKFJUQJOSA-N
• XLogP: 5.75
• TPSA: 214.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	944.99
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159631251) is 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc2c(cc1NC(=O)c1cnn3ccc(N4C[C@@H](N)CC(F)(F)C4)nc13)CC(C)(C)O2.COc1cc2c(cc1NC(=O)c1cnn3ccc(N4C[C@H](N)CC(F)(F)C4)nc13)CC(C)(C)O2.

What is the InChIKey of 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is MPDRLUNFICXJCE-IKFJUQJOSA-N. The full InChI is InChI=1S/2C23H26F2N6O3/c2*1-22(2)8-13-6-16(18(33-3)7-17(13)34-22)28-21(32)15-10-27-31-5-4-19(29-20(15)31)30-11-14(26)9-23(24,25)12-30/h2*4-7,10,14H,8-9,11-12,26H2,1-3H3,(H,28,32)/t2*14-/m10/s1.

What are the key properties of 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 944.99 g/mol, XLogP of 5.75, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5S)-5-amino-3,3-difluoropiperidin-1-yl]-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159631251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).