3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one

C25H32N6O — CID 95834893

About 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 95834893) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
• PubChem CID: 95834893
• Molecular Formula: C25H32N6O
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.26
• IUPAC Name: 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
• SMILES: CCc1nccn1CCC(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)n2)C1
• InChI: InChI=1S/C25H32N6O/c1-4-23-26-11-14-30(23)13-9-24(32)31-12-6-8-20(17-31)22-16-21(15-19(3)28-22)29-25-18(2)7-5-10-27-25/h5,7,10-11,14-16,20H,4,6,8-9,12-13,17H2,1-3H3,(H,27,28,29)/t20-/m1/s1
• InChIKey: ANZPKEMTABBXLV-HXUWFJFHSA-N
• XLogP: 4.39
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 95834893) is 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)n2)C1.

What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one?

The InChIKey is ANZPKEMTABBXLV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N6O/c1-4-23-26-11-14-30(23)13-9-24(32)31-12-6-8-20(17-31)22-16-21(15-19(3)28-22)29-25-18(2)7-5-10-27-25/h5,7,10-11,14-16,20H,4,6,8-9,12-13,17H2,1-3H3,(H,27,28,29)/t20-/m1/s1.

What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one?

3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 432.57 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95834893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).