[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate

C23H26ClFN6O2 — CID 175223802

About [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate

[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate (PubChem CID 175223802) has the molecular formula C23H26ClFN6O2 and a molecular weight of 472.95 g/mol. Its IUPAC name is [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate.

Molecular Properties

• Compound Name: [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate
• PubChem CID: 175223802
• Molecular Formula: C23H26ClFN6O2
• Molecular Weight: 472.95 g/mol
• Exact Mass: 472.18
• IUPAC Name: [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate
• SMILES: Cc1cc(Nc2cncc(COC(=O)[C@@H]3CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
• InChI: InChI=1S/C23H26ClFN6O2/c1-14-8-20(30-29-14)28-21-11-26-10-18(27-21)13-33-23(32)16-6-7-31(15(2)9-16)12-17-4-3-5-19(24)22(17)25/h3-5,8,10-11,15-16H,6-7,9,12-13H2,1-2H3,(H2,27,28,29,30)/t15-,16-/m1/s1
• InChIKey: LOYUGDXUXQROMY-HZPDHXFCSA-N
• XLogP: 4.39
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.95
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate?

The IUPAC name of [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate (CID 175223802) is [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate.

What is the SMILES notation for [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate?

The canonical SMILES for [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate is Cc1cc(Nc2cncc(COC(=O)[C@@H]3CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1.

What is the InChIKey of [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate?

The InChIKey is LOYUGDXUXQROMY-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H26ClFN6O2/c1-14-8-20(30-29-14)28-21-11-26-10-18(27-21)13-33-23(32)16-6-7-31(15(2)9-16)12-17-4-3-5-19(24)22(17)25/h3-5,8,10-11,15-16H,6-7,9,12-13H2,1-2H3,(H2,27,28,29,30)/t15-,16-/m1/s1.

What are the key properties of [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate?

[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate has a molecular weight of 472.95 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 175223802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).