5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19F3N8O — CID 134275946

About 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134275946) has the molecular formula C18H19F3N8O and a molecular weight of 420.40 g/mol. Its IUPAC name is 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 134275946
• Molecular Formula: C18H19F3N8O
• Molecular Weight: 420.40 g/mol
• Exact Mass: 420.16
• IUPAC Name: 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1NCC2C[C@@H]1N2c1ccn2ncc(C(=O)Nc3cn(C)nc3C(F)(F)F)c2n1
• InChI: InChI=1S/C18H19F3N8O/c1-9-13-5-10(6-22-9)29(13)14-3-4-28-16(25-14)11(7-23-28)17(30)24-12-8-27(2)26-15(12)18(19,20)21/h3-4,7-10,13,22H,5-6H2,1-2H3,(H,24,30)/t9?,10?,13-/m0/s1
• InChIKey: HETJKKFMDHJGDG-ZPPKWKGLSA-N
• XLogP: 1.67
• TPSA: 92.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.40
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134275946) is 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1NCC2C[C@@H]1N2c1ccn2ncc(C(=O)Nc3cn(C)nc3C(F)(F)F)c2n1.

What is the InChIKey of 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is HETJKKFMDHJGDG-ZPPKWKGLSA-N. The full InChI is InChI=1S/C18H19F3N8O/c1-9-13-5-10(6-22-9)29(13)14-3-4-28-16(25-14)11(7-23-28)17(30)24-12-8-27(2)26-15(12)18(19,20)21/h3-4,7-10,13,22H,5-6H2,1-2H3,(H,24,30)/t9?,10?,13-/m0/s1.

What are the key properties of 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S)-2-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134275946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).