3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine

C28H26F3N7O — CID 177004623

About 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine

3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine (PubChem CID 177004623) has the molecular formula C28H26F3N7O and a molecular weight of 533.56 g/mol. Its IUPAC name is 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine
• PubChem CID: 177004623
• Molecular Formula: C28H26F3N7O
• Molecular Weight: 533.56 g/mol
• Exact Mass: 533.22
• IUPAC Name: 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine
• SMILES: COc1ncnc(C2CC2)c1-c1nn(Cc2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)c2cccnc12
• InChI: InChI=1S/C28H26F3N7O/c1-16(2)37-14-21(28(29,30)31)35-26(37)19-8-6-17(7-9-19)13-38-20-5-4-12-32-24(20)25(36-38)22-23(18-10-11-18)33-15-34-27(22)39-3/h4-9,12,14-16,18H,10-11,13H2,1-3H3
• InChIKey: HIHLHLIJKYQADD-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 83.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.56
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine (CID 177004623) is 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine is COc1ncnc(C2CC2)c1-c1nn(Cc2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)c2cccnc12.

What is the InChIKey of 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine?

The InChIKey is HIHLHLIJKYQADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N7O/c1-16(2)37-14-21(28(29,30)31)35-26(37)19-8-6-17(7-9-19)13-38-20-5-4-12-32-24(20)25(36-38)22-23(18-10-11-18)33-15-34-27(22)39-3/h4-9,12,14-16,18H,10-11,13H2,1-3H3.

What are the key properties of 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine?

3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine has a molecular weight of 533.56 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 177004623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).