curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine

C23H24CmF3N4O3S- — CID 164918509

About curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine

curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 164918509) has the molecular formula C23H24CmF3N4O3S- and a molecular weight of 740.53 g/mol. Its IUPAC name is curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 164918509
• Molecular Formula: C23H24CmF3N4O3S-
• Molecular Weight: 740.53 g/mol
• Exact Mass: 736.21
• IUPAC Name: curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine
• SMILES: COc1nc2nc(C)nc(N[C@H](C)c3cccc(C(F)F)c3F)c2cc1[C-]1CCS(=O)(=O)CC1.[Cm]
• InChI: InChI=1S/C23H24F3N4O3S.Cm/c1-12(15-5-4-6-16(19(15)24)20(25)26)27-21-18-11-17(14-7-9-34(31,32)10-8-14)23(33-3)30-22(18)29-13(2)28-21;/h4-6,11-12,20H,7-10H2,1-3H3,(H,27,28,29,30);/q-1;/t12-;/m1./s1
• InChIKey: FLNHCWMGOMYYLA-UTONKHPSSA-N
• XLogP: 4.72
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	740.53
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine (CID 164918509) is curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine is COc1nc2nc(C)nc(N[C@H](C)c3cccc(C(F)F)c3F)c2cc1[C-]1CCS(=O)(=O)CC1.[Cm].

What is the InChIKey of curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is FLNHCWMGOMYYLA-UTONKHPSSA-N. The full InChI is InChI=1S/C23H24F3N4O3S.Cm/c1-12(15-5-4-6-16(19(15)24)20(25)26)27-21-18-11-17(14-7-9-34(31,32)10-8-14)23(33-3)30-22(18)29-13(2)28-21;/h4-6,11-12,20H,7-10H2,1-3H3,(H,27,28,29,30);/q-1;/t12-;/m1./s1.

What are the key properties of curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine?

curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 740.53 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for curium;N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-2,3,5,6-tetrahydrothiopyran-4-id-4-yl)-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164918509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).