1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone

C19H21N7O — CID 124979263

About 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone

1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 124979263) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 124979263
• Molecular Formula: C19H21N7O
• Molecular Weight: 363.43 g/mol
• Exact Mass: 363.18
• IUPAC Name: 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cccc(Nc2cnc([C@H]3CCCN(C(=O)c4cnc[nH]4)C3)cn2)n1
• InChI: InChI=1S/C19H21N7O/c1-13-4-2-6-17(24-13)25-18-10-21-15(9-22-18)14-5-3-7-26(11-14)19(27)16-8-20-12-23-16/h2,4,6,8-10,12,14H,3,5,7,11H2,1H3,(H,20,23)(H,22,24,25)/t14-/m0/s1
• InChIKey: LZYKCMPMKDMJSX-AWEZNQCLSA-N
• XLogP: 2.67
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.43
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone (CID 124979263) is 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cccc(Nc2cnc([C@H]3CCCN(C(=O)c4cnc[nH]4)C3)cn2)n1.

What is the InChIKey of 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is LZYKCMPMKDMJSX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N7O/c1-13-4-2-6-17(24-13)25-18-10-21-15(9-22-18)14-5-3-7-26(11-14)19(27)16-8-20-12-23-16/h2,4,6,8-10,12,14H,3,5,7,11H2,1H3,(H,20,23)(H,22,24,25)/t14-/m0/s1.

What are the key properties of 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?

1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 363.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124979263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).