(4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C47H43F6N11O2 — CID 162252775

About (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162252775) has the molecular formula C47H43F6N11O2 and a molecular weight of 907.92 g/mol. Its IUPAC name is (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 162252775
• Molecular Formula: C47H43F6N11O2
• Molecular Weight: 907.92 g/mol
• Exact Mass: 907.35
• IUPAC Name: (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1nc(-c2cc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.COc1nc(-c2nc3n(n2)CCC[C@@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C24H22F3N5O.C23H21F3N6O/c1-15-13-31(14-28-15)21-10-9-19(29-23(21)33-2)20-12-22-17(7-5-11-32(22)30-20)16-6-3-4-8-18(16)24(25,26)27;1-14-12-31(13-27-14)19-10-9-18(28-22(19)33-2)20-29-21-16(7-5-11-32(21)30-20)15-6-3-4-8-17(15)23(24,25)26/h3-4,6,8-10,12-14,17H,5,7,11H2,1-2H3;3-4,6,8-10,12-13,16H,5,7,11H2,1-2H3/t17-;16-/m01/s1
• InChIKey: ZYEYYKYHSLAWNT-FPNZUHJHSA-N
• XLogP: 10.18
• TPSA: 128.41 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	907.92
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 162252775) is (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(-c2cc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.COc1nc(-c2nc3n(n2)CCC[C@@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.

What is the InChIKey of (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is ZYEYYKYHSLAWNT-FPNZUHJHSA-N. The full InChI is InChI=1S/C24H22F3N5O.C23H21F3N6O/c1-15-13-31(14-28-15)21-10-9-19(29-23(21)33-2)20-12-22-17(7-5-11-32(22)30-20)16-6-3-4-8-18(16)24(25,26)27;1-14-12-31(13-27-14)19-10-9-18(28-22(19)33-2)20-29-21-16(7-5-11-32(21)30-20)15-6-3-4-8-17(15)23(24,25)26/h3-4,6,8-10,12-14,17H,5,7,11H2,1-2H3;3-4,6,8-10,12-13,16H,5,7,11H2,1-2H3/t17-;16-/m01/s1.

What are the key properties of (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

(4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 907.92 g/mol, XLogP of 10.18, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162252775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).