1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide

C25H27N7OS — CID 122295961

About 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide

1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 122295961) has the molecular formula C25H27N7OS and a molecular weight of 473.61 g/mol. Its IUPAC name is 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
• PubChem CID: 122295961
• Molecular Formula: C25H27N7OS
• Molecular Weight: 473.61 g/mol
• Exact Mass: 473.20
• IUPAC Name: 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
• SMILES: Cc1cc(Nc2ccc(NC(=O)c3cc(-c4cccs4)nn3C)cc2)nc(N2CCCCC2)n1
• InChI: InChI=1S/C25H27N7OS/c1-17-15-23(29-25(26-17)32-12-4-3-5-13-32)27-18-8-10-19(11-9-18)28-24(33)21-16-20(30-31(21)2)22-7-6-14-34-22/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,28,33)(H,26,27,29)
• InChIKey: OYYKRUDQHKJVPV-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.61
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?

The IUPAC name of 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 122295961) is 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

What is the SMILES notation for 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?

The canonical SMILES for 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3cc(-c4cccs4)nn3C)cc2)nc(N2CCCCC2)n1.

What is the InChIKey of 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?

The InChIKey is OYYKRUDQHKJVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7OS/c1-17-15-23(29-25(26-17)32-12-4-3-5-13-32)27-18-8-10-19(11-9-18)28-24(33)21-16-20(30-31(21)2)22-7-6-14-34-22/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,28,33)(H,26,27,29).

What are the key properties of 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?

1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 473.61 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 122295961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).