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

C19H21N7O — CID 124998772

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

[(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 124998772) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is [(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
• PubChem CID: 124998772
• Molecular Formula: C19H21N7O
• Molecular Weight: 363.43 g/mol
• Exact Mass: 363.18
• IUPAC Name: [(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
• SMILES: Cc1cccc(Nc2nccnc2[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1
• InChI: InChI=1S/C19H21N7O/c1-13-4-2-6-16(23-13)24-18-17(20-9-10-21-18)14-5-3-11-26(12-14)19(27)15-7-8-22-25-15/h2,4,6-10,14H,3,5,11-12H2,1H3,(H,22,25)(H,21,23,24)/t14-/m1/s1
• InChIKey: RKBKWUNHQJJICP-CQSZACIVSA-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 [(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?

The IUPAC name of [(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 124998772) is [(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

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

The canonical SMILES for [(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1cccc(Nc2nccnc2[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1.

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

The InChIKey is RKBKWUNHQJJICP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N7O/c1-13-4-2-6-16(23-13)24-18-17(20-9-10-21-18)14-5-3-11-26(12-14)19(27)15-7-8-22-25-15/h2,4,6-10,14H,3,5,11-12H2,1H3,(H,22,25)(H,21,23,24)/t14-/m1/s1.

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

[(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-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 [(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 124998772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).