1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one

C24H31F3N6O2 — CID 175591096

About 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one

1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one (PubChem CID 175591096) has the molecular formula C24H31F3N6O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one
• PubChem CID: 175591096
• Molecular Formula: C24H31F3N6O2
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.25
• IUPAC Name: 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one
• SMILES: Cc1cc(C2CNCCO2)ncc1Nc1cc(NCCCN2CCCCC2=O)c(C(F)(F)F)cn1
• InChI: InChI=1S/C24H31F3N6O2/c1-16-11-19(21-15-28-7-10-35-21)30-14-20(16)32-22-12-18(17(13-31-22)24(25,26)27)29-6-4-9-33-8-3-2-5-23(33)34/h11-14,21,28H,2-10,15H2,1H3,(H2,29,31,32)
• InChIKey: MCHDNSWYFBLXDD-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 91.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one?

The IUPAC name of 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one (CID 175591096) is 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one.

What is the SMILES notation for 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one?

The canonical SMILES for 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one is Cc1cc(C2CNCCO2)ncc1Nc1cc(NCCCN2CCCCC2=O)c(C(F)(F)F)cn1.

What is the InChIKey of 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one?

The InChIKey is MCHDNSWYFBLXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O2/c1-16-11-19(21-15-28-7-10-35-21)30-14-20(16)32-22-12-18(17(13-31-22)24(25,26)27)29-6-4-9-33-8-3-2-5-23(33)34/h11-14,21,28H,2-10,15H2,1H3,(H2,29,31,32).

What are the key properties of 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one?

1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one has a molecular weight of 492.55 g/mol, XLogP of 4.02, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[2-[(4-methyl-6-morpholin-2-yl-3-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one is sourced from PubChem (CID 175591096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).