4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide

C26H31N9O — CID 146886841

About 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide

4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 146886841) has the molecular formula C26H31N9O and a molecular weight of 485.60 g/mol. Its IUPAC name is 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
• PubChem CID: 146886841
• Molecular Formula: C26H31N9O
• Molecular Weight: 485.60 g/mol
• Exact Mass: 485.27
• IUPAC Name: 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
• SMILES: Cc1cc(Cc2cc(C)[nH]n2)nc(N2CCC(C)(C(=O)NCc3ccc(-n4cccn4)nc3)CC2)n1
• InChI: InChI=1S/C26H31N9O/c1-18-13-21(15-22-14-19(2)32-33-22)31-25(30-18)34-11-7-26(3,8-12-34)24(36)28-17-20-5-6-23(27-16-20)35-10-4-9-29-35/h4-6,9-10,13-14,16H,7-8,11-12,15,17H2,1-3H3,(H,28,36)(H,32,33)
• InChIKey: SXIFAUDSROGGGI-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 117.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.60
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?

The IUPAC name of 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 146886841) is 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is Cc1cc(Cc2cc(C)[nH]n2)nc(N2CCC(C)(C(=O)NCc3ccc(-n4cccn4)nc3)CC2)n1.

What is the InChIKey of 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?

The InChIKey is SXIFAUDSROGGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O/c1-18-13-21(15-22-14-19(2)32-33-22)31-25(30-18)34-11-7-26(3,8-12-34)24(36)28-17-20-5-6-23(27-16-20)35-10-4-9-29-35/h4-6,9-10,13-14,16H,7-8,11-12,15,17H2,1-3H3,(H,28,36)(H,32,33).

What are the key properties of 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?

4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 485.60 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 146886841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).