1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide

C23H29N9O2 — CID 90544363

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90544363) has the molecular formula C23H29N9O2 and a molecular weight of 463.55 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
• PubChem CID: 90544363
• Molecular Formula: C23H29N9O2
• Molecular Weight: 463.55 g/mol
• Exact Mass: 463.24
• IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
• SMILES: Cc1cc(C)n(-c2cc(N3CCCC(C(=O)Nc4cc(N5CCOCC5)ncn4)C3)ncn2)n1
• InChI: InChI=1S/C23H29N9O2/c1-16-10-17(2)32(29-16)22-12-21(26-15-27-22)31-5-3-4-18(13-31)23(33)28-19-11-20(25-14-24-19)30-6-8-34-9-7-30/h10-12,14-15,18H,3-9,13H2,1-2H3,(H,24,25,28,33)
• InChIKey: TYHOJUBCFYWLIE-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 114.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.55
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90544363) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1cc(C)n(-c2cc(N3CCCC(C(=O)Nc4cc(N5CCOCC5)ncn4)C3)ncn2)n1.

What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The InChIKey is TYHOJUBCFYWLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O2/c1-16-10-17(2)32(29-16)22-12-21(26-15-27-22)31-5-3-4-18(13-31)23(33)28-19-11-20(25-14-24-19)30-6-8-34-9-7-30/h10-12,14-15,18H,3-9,13H2,1-2H3,(H,24,25,28,33).

What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide?

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90544363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).