[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

C21H31N7O — CID 110255875

About [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 110255875) has the molecular formula C21H31N7O and a molecular weight of 397.53 g/mol. Its IUPAC name is [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

• Compound Name: [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
• PubChem CID: 110255875
• Molecular Formula: C21H31N7O
• Molecular Weight: 397.53 g/mol
• Exact Mass: 397.26
• IUPAC Name: [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
• SMILES: Cc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN(C(=O)C3CCN(C)CC3)C2)n1
• InChI: InChI=1S/C21H31N7O/c1-14-11-20(26-25-14)24-19-12-18(22-15(2)23-19)17-5-4-8-28(13-17)21(29)16-6-9-27(3)10-7-16/h11-12,16-17H,4-10,13H2,1-3H3,(H2,22,23,24,25,26)
• InChIKey: SWRXHCVAZFDEFS-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.53
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?

The IUPAC name of [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 110255875) is [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

What is the SMILES notation for [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?

The canonical SMILES for [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is Cc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN(C(=O)C3CCN(C)CC3)C2)n1.

What is the InChIKey of [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?

The InChIKey is SWRXHCVAZFDEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O/c1-14-11-20(26-25-14)24-19-12-18(22-15(2)23-19)17-5-4-8-28(13-17)21(29)16-6-9-27(3)10-7-16/h11-12,16-17H,4-10,13H2,1-3H3,(H2,22,23,24,25,26).

What are the key properties of [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?

[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 397.53 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 110255875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).