1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one

C25H28N6O2S — CID 58707175

About 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one

1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one (PubChem CID 58707175) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one.

Molecular Properties

• Compound Name: 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one
• PubChem CID: 58707175
• Molecular Formula: C25H28N6O2S
• Molecular Weight: 476.61 g/mol
• Exact Mass: 476.20
• IUPAC Name: 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one
• SMILES: Cc1ccnc(Nc2cccc(-c3cnc(C4CCN(C(=O)N5CCC(=O)CC5)CC4)s3)n2)c1
• InChI: InChI=1S/C25H28N6O2S/c1-17-5-10-26-23(15-17)29-22-4-2-3-20(28-22)21-16-27-24(34-21)18-6-11-30(12-7-18)25(33)31-13-8-19(32)9-14-31/h2-5,10,15-16,18H,6-9,11-14H2,1H3,(H,26,28,29)
• InChIKey: XSWYVQAWXYFLLV-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 91.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.61
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one?

The IUPAC name of 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one (CID 58707175) is 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one.

What is the SMILES notation for 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one?

The canonical SMILES for 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one is Cc1ccnc(Nc2cccc(-c3cnc(C4CCN(C(=O)N5CCC(=O)CC5)CC4)s3)n2)c1.

What is the InChIKey of 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one?

The InChIKey is XSWYVQAWXYFLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-17-5-10-26-23(15-17)29-22-4-2-3-20(28-22)21-16-27-24(34-21)18-6-11-30(12-7-18)25(33)31-13-8-19(32)9-14-31/h2-5,10,15-16,18H,6-9,11-14H2,1H3,(H,26,28,29).

What are the key properties of 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one?

1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one has a molecular weight of 476.61 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-4-one is sourced from PubChem (CID 58707175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).