methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate

C26H26ClFN6O3 — CID 156654145

About methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate

methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 156654145) has the molecular formula C26H26ClFN6O3 and a molecular weight of 524.98 g/mol. Its IUPAC name is methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate
• PubChem CID: 156654145
• Molecular Formula: C26H26ClFN6O3
• Molecular Weight: 524.98 g/mol
• Exact Mass: 524.17
• IUPAC Name: methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate
• SMILES: COC(=O)c1cc2c(cn1)nc(CN1CCC(c3nccnc3OCc3ccc(Cl)cc3F)CC1)n2C
• InChI: InChI=1S/C26H26ClFN6O3/c1-33-22-12-20(26(35)36-2)31-13-21(22)32-23(33)14-34-9-5-16(6-10-34)24-25(30-8-7-29-24)37-15-17-3-4-18(27)11-19(17)28/h3-4,7-8,11-13,16H,5-6,9-10,14-15H2,1-2H3
• InChIKey: OYOZNLAKBZWUMK-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 95.26 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.98
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate?

The IUPAC name of methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate (CID 156654145) is methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate.

What is the SMILES notation for methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate?

The canonical SMILES for methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate is COC(=O)c1cc2c(cn1)nc(CN1CCC(c3nccnc3OCc3ccc(Cl)cc3F)CC1)n2C.

What is the InChIKey of methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate?

The InChIKey is OYOZNLAKBZWUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O3/c1-33-22-12-20(26(35)36-2)31-13-21(22)32-23(33)14-34-9-5-16(6-10-34)24-25(30-8-7-29-24)37-15-17-3-4-18(27)11-19(17)28/h3-4,7-8,11-13,16H,5-6,9-10,14-15H2,1-2H3.

What are the key properties of methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate?

methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 524.98 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 156654145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).