7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H18F4N8O — CID 178093092

About 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178093092) has the molecular formula C23H18F4N8O and a molecular weight of 498.44 g/mol. Its IUPAC name is 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 178093092
• Molecular Formula: C23H18F4N8O
• Molecular Weight: 498.44 g/mol
• Exact Mass: 498.15
• IUPAC Name: 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC(C)n1nc(-c2ccn3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cnc3c2)c2c(N)ncnc21
• InChI: InChI=1S/C23H18F4N8O/c1-11(2)35-21-18(20(28)30-10-31-21)19(33-35)12-5-6-34-16(9-29-17(34)7-12)22(36)32-13-3-4-15(24)14(8-13)23(25,26)27/h3-11H,1-2H3,(H,32,36)(H2,28,30,31)
• InChIKey: TVNIDTUCBUIGFA-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 116.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.44
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 178093092) is 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)n1nc(-c2ccn3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cnc3c2)c2c(N)ncnc21.

What is the InChIKey of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is TVNIDTUCBUIGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N8O/c1-11(2)35-21-18(20(28)30-10-31-21)19(33-35)12-5-6-34-16(9-29-17(34)7-12)22(36)32-13-3-4-15(24)14(8-13)23(25,26)27/h3-11H,1-2H3,(H,32,36)(H2,28,30,31).

What are the key properties of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 498.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178093092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).