[6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C27H26N6O2 — CID 124960827

About [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

[6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 124960827) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 124960827
• Molecular Formula: C27H26N6O2
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.21
• IUPAC Name: [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2ccc(-c3ccc(N)nc3)nc2)C1
• InChI: InChI=1S/C27H26N6O2/c1-18-5-2-3-7-23(18)35-26-25(29-12-13-30-26)21-6-4-14-33(17-21)27(34)20-8-10-22(31-16-20)19-9-11-24(28)32-15-19/h2-3,5,7-13,15-16,21H,4,6,14,17H2,1H3,(H2,28,32)/t21-/m0/s1
• InChIKey: GXFRVJSPAZUUDP-NRFANRHFSA-N
• XLogP: 4.64
• TPSA: 107.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 124960827) is [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2ccc(-c3ccc(N)nc3)nc2)C1.

What is the InChIKey of [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is GXFRVJSPAZUUDP-NRFANRHFSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-18-5-2-3-7-23(18)35-26-25(29-12-13-30-26)21-6-4-14-33(17-21)27(34)20-8-10-22(31-16-20)19-9-11-24(28)32-15-19/h2-3,5,7-13,15-16,21H,4,6,14,17H2,1H3,(H2,28,32)/t21-/m0/s1.

What are the key properties of [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

[6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 466.55 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124960827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).