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

C27H29N7O — CID 164959778

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

1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 164959778) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide
• PubChem CID: 164959778
• Molecular Formula: C27H29N7O
• Molecular Weight: 467.58 g/mol
• Exact Mass: 467.24
• IUPAC Name: 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide
• SMILES: Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CCC(C(=O)Nc4ccccc4)CC3)nc2)n1
• InChI: InChI=1S/C27H29N7O/c1-18-14-23(16-24-15-19(2)32-33-24)30-26(29-18)21-8-9-25(28-17-21)34-12-10-20(11-13-34)27(35)31-22-6-4-3-5-7-22/h3-9,14-15,17,20H,10-13,16H2,1-2H3,(H,31,35)(H,32,33)
• InChIKey: VQLFYPKCENOYIP-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.58
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide (CID 164959778) is 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide.

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

The canonical SMILES for 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide is Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CCC(C(=O)Nc4ccccc4)CC3)nc2)n1.

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

The InChIKey is VQLFYPKCENOYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-18-14-23(16-24-15-19(2)32-33-24)30-26(29-18)21-8-9-25(28-17-21)34-12-10-20(11-13-34)27(35)31-22-6-4-3-5-7-22/h3-9,14-15,17,20H,10-13,16H2,1-2H3,(H,31,35)(H,32,33).

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

1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 467.58 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 164959778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).