(4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C27H26F4N6O2 — CID 162378265

About (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

(4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 162378265) has the molecular formula C27H26F4N6O2 and a molecular weight of 542.54 g/mol. Its IUPAC name is (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• PubChem CID: 162378265
• Molecular Formula: C27H26F4N6O2
• Molecular Weight: 542.54 g/mol
• Exact Mass: 542.21
• IUPAC Name: (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• SMILES: CCn1cc(C(F)(F)F)nc1-c1ccc(O[C@H]2CCCn3nc(-c4c(OC)ncnc4C4CC4)cc32)cc1F
• InChI: InChI=1S/C27H26F4N6O2/c1-3-36-13-22(27(29,30)31)34-25(36)17-9-8-16(11-18(17)28)39-21-5-4-10-37-20(21)12-19(35-37)23-24(15-6-7-15)32-14-33-26(23)38-2/h8-9,11-15,21H,3-7,10H2,1-2H3/t21-/m0/s1
• InChIKey: IWKFYTUKCWBIPL-NRFANRHFSA-N
• XLogP: 6.18
• TPSA: 79.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.54
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The IUPAC name of (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 162378265) is (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

What is the SMILES notation for (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The canonical SMILES for (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CCn1cc(C(F)(F)F)nc1-c1ccc(O[C@H]2CCCn3nc(-c4c(OC)ncnc4C4CC4)cc32)cc1F.

What is the InChIKey of (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The InChIKey is IWKFYTUKCWBIPL-NRFANRHFSA-N. The full InChI is InChI=1S/C27H26F4N6O2/c1-3-36-13-22(27(29,30)31)34-25(36)17-9-8-16(11-18(17)28)39-21-5-4-10-37-20(21)12-19(35-37)23-24(15-6-7-15)32-14-33-26(23)38-2/h8-9,11-15,21H,3-7,10H2,1-2H3/t21-/m0/s1.

What are the key properties of (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

(4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 542.54 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 162378265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).