6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine

C25H22Br2F4N6 — CID 162592816

About 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine

6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine (PubChem CID 162592816) has the molecular formula C25H22Br2F4N6 and a molecular weight of 642.29 g/mol. Its IUPAC name is 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine
• PubChem CID: 162592816
• Molecular Formula: C25H22Br2F4N6
• Molecular Weight: 642.29 g/mol
• Exact Mass: 640.02
• IUPAC Name: 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine
• SMILES: Cc1cc(Br)nc(Nc2cc(C(F)(F)CN3C=CC(C(F)F)=CC3Nc3cc(C)cc(Br)n3)ccn2)c1
• InChI: InChI=1S/C25H22Br2F4N6/c1-14-7-18(26)33-21(9-14)35-20-12-17(3-5-32-20)25(30,31)13-37-6-4-16(24(28)29)11-23(37)36-22-10-15(2)8-19(27)34-22/h3-12,23-24H,13H2,1-2H3,(H,34,36)(H,32,33,35)
• InChIKey: CVVKOHGFHSIFNE-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 65.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.29
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine?

The IUPAC name of 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine (CID 162592816) is 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine.

What is the SMILES notation for 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine?

The canonical SMILES for 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine is Cc1cc(Br)nc(Nc2cc(C(F)(F)CN3C=CC(C(F)F)=CC3Nc3cc(C)cc(Br)n3)ccn2)c1.

What is the InChIKey of 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine?

The InChIKey is CVVKOHGFHSIFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Br2F4N6/c1-14-7-18(26)33-21(9-14)35-20-12-17(3-5-32-20)25(30,31)13-37-6-4-16(24(28)29)11-23(37)36-22-10-15(2)8-19(27)34-22/h3-12,23-24H,13H2,1-2H3,(H,34,36)(H,32,33,35).

What are the key properties of 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine?

6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine has a molecular weight of 642.29 g/mol, XLogP of 7.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine is sourced from PubChem (CID 162592816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).