N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide

C26H28F2N6O2 — CID 25196949

About N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide

N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide (PubChem CID 25196949) has the molecular formula C26H28F2N6O2 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide
• PubChem CID: 25196949
• Molecular Formula: C26H28F2N6O2
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.22
• IUPAC Name: N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide
• SMILES: Cc1ccc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)cc1NC(=O)N1CCN(C)C2(CC2)C1
• InChI: InChI=1S/C26H28F2N6O2/c1-17-3-6-20(13-22(17)32-25(35)34-12-11-33(2)26(16-34)9-10-26)31-24-29-14-19(15-30-24)18-4-7-21(8-5-18)36-23(27)28/h3-8,13-15,23H,9-12,16H2,1-2H3,(H,32,35)(H,29,30,31)
• InChIKey: KLTGUNSRQLOMFO-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide?

The IUPAC name of N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide (CID 25196949) is N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide is Cc1ccc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)cc1NC(=O)N1CCN(C)C2(CC2)C1.

What is the InChIKey of N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide?

The InChIKey is KLTGUNSRQLOMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O2/c1-17-3-6-20(13-22(17)32-25(35)34-12-11-33(2)26(16-34)9-10-26)31-24-29-14-19(15-30-24)18-4-7-21(8-5-18)36-23(27)28/h3-8,13-15,23H,9-12,16H2,1-2H3,(H,32,35)(H,29,30,31).

What are the key properties of N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide?

N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-methyl-4,7-diazaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 25196949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).