(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C27H32N6O2 — CID 46864277

About (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 46864277) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 46864277
• Molecular Formula: C27H32N6O2
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.26
• IUPAC Name: (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(C)c([C@@H]2CCCn3nc(-c4ccc(-n5cnc(C)c5)c(OC)n4)nc32)cc1C(C)C
• InChI: InChI=1S/C27H32N6O2/c1-16(2)20-13-21(17(3)12-24(20)34-5)19-8-7-11-33-26(19)30-25(31-33)22-9-10-23(27(29-22)35-6)32-14-18(4)28-15-32/h9-10,12-16,19H,7-8,11H2,1-6H3/t19-/m0/s1
• InChIKey: CKLVNWYWZRONTM-IBGZPJMESA-N
• XLogP: 5.21
• TPSA: 79.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 46864277) is (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(C)c([C@@H]2CCCn3nc(-c4ccc(-n5cnc(C)c5)c(OC)n4)nc32)cc1C(C)C.

What is the InChIKey of (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is CKLVNWYWZRONTM-IBGZPJMESA-N. The full InChI is InChI=1S/C27H32N6O2/c1-16(2)20-13-21(17(3)12-24(20)34-5)19-8-7-11-33-26(19)30-25(31-33)22-9-10-23(27(29-22)35-6)32-14-18(4)28-15-32/h9-10,12-16,19H,7-8,11H2,1-6H3/t19-/m0/s1.

What are the key properties of (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 472.59 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 46864277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).