N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium

C25H27CmF3N5O- — CID 164919171

About N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium

N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium (PubChem CID 164919171) has the molecular formula C25H27CmF3N5O- and a molecular weight of 717.52 g/mol. Its IUPAC name is N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium
• PubChem CID: 164919171
• Molecular Formula: C25H27CmF3N5O-
• Molecular Weight: 717.52 g/mol
• Exact Mass: 713.28
• IUPAC Name: N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium
• SMILES: COc1nc2nc(C)nc(N[C@H](C)c3cccc(C(F)(F)CN4CCC4)c3F)c2cc1[C-]1CC1.[Cm]
• InChI: InChI=1S/C25H27F3N5O.Cm/c1-14(17-6-4-7-20(21(17)26)25(27,28)13-33-10-5-11-33)29-22-19-12-18(16-8-9-16)24(34-3)32-23(19)31-15(2)30-22;/h4,6-7,12,14H,5,8-11,13H2,1-3H3,(H,29,30,31,32);/q-1;/t14-;/m1./s1
• InChIKey: YMGTZRWQQBEKIV-PFEQFJNWSA-N
• XLogP: 5.17
• TPSA: 63.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.52
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium?

The IUPAC name of N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium (CID 164919171) is N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium.

What is the SMILES notation for N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium?

The canonical SMILES for N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium is COc1nc2nc(C)nc(N[C@H](C)c3cccc(C(F)(F)CN4CCC4)c3F)c2cc1[C-]1CC1.[Cm].

What is the InChIKey of N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium?

The InChIKey is YMGTZRWQQBEKIV-PFEQFJNWSA-N. The full InChI is InChI=1S/C25H27F3N5O.Cm/c1-14(17-6-4-7-20(21(17)26)25(27,28)13-33-10-5-11-33)29-22-19-12-18(16-8-9-16)24(34-3)32-23(19)31-15(2)30-22;/h4,6-7,12,14H,5,8-11,13H2,1-3H3,(H,29,30,31,32);/q-1;/t14-;/m1./s1.

What are the key properties of N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium?

N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium has a molecular weight of 717.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-[2-(azetidin-1-yl)-1,1-difluoroethyl]-2-fluorophenyl]ethyl]-6-cyclopropyl-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine;curium is sourced from PubChem (CID 164919171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).