N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide

C24H22F3N7O2 — CID 166981750

About N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide

N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 166981750) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
• PubChem CID: 166981750
• Molecular Formula: C24H22F3N7O2
• Molecular Weight: 497.48 g/mol
• Exact Mass: 497.18
• IUPAC Name: N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
• SMILES: CC(C)n1ncc2cnc(C(=O)NC3(c4ccc(-c5cncn(C)c5=O)c(C(F)(F)F)c4)CC3)nc21
• InChI: InChI=1S/C24H22F3N7O2/c1-13(2)34-20-14(10-30-34)9-29-19(31-20)21(35)32-23(6-7-23)15-4-5-16(18(8-15)24(25,26)27)17-11-28-12-33(3)22(17)36/h4-5,8-13H,6-7H2,1-3H3,(H,32,35)
• InChIKey: QNPZPZOEYQSPGW-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 107.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.48
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide (CID 166981750) is N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide is CC(C)n1ncc2cnc(C(=O)NC3(c4ccc(-c5cncn(C)c5=O)c(C(F)(F)F)c4)CC3)nc21.

What is the InChIKey of N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?

The InChIKey is QNPZPZOEYQSPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c1-13(2)34-20-14(10-30-34)9-29-19(31-20)21(35)32-23(6-7-23)15-4-5-16(18(8-15)24(25,26)27)17-11-28-12-33(3)22(17)36/h4-5,8-13H,6-7H2,1-3H3,(H,32,35).

What are the key properties of N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?

N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(1-methyl-6-oxopyrimidin-5-yl)-3-(trifluoromethyl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166981750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).