4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one

C112H122F16N20O3 — CID 160952612

About 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one

4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one (PubChem CID 160952612) has the molecular formula C112H122F16N20O3 and a molecular weight of 2100.31 g/mol. Its IUPAC name is 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one.

Molecular Properties

• Compound Name: 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one
• PubChem CID: 160952612
• Molecular Formula: C112H122F16N20O3
• Molecular Weight: 2100.31 g/mol
• Exact Mass: 2098.98
• IUPAC Name: 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one
• SMILES: CN1CC(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)CC1=O.Cc1ccc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)o1.Cn1cc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)cn1.Cn1ccc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)c1.O=C1CCC(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)C1
• InChI: InChI=1S/C23H27F3N4O.C23H25F3N4.C23H24F3N3O.C22H24F3N5.C21H22F4N4O/c1-23(25,26)17-8-6-16(7-9-17)19-4-3-11-30(19)22-21(24)18(27-14-28-22)10-5-15-12-20(31)29(2)13-15;1-23(25,26)18-8-6-17(7-9-18)20-4-3-12-30(20)22-21(24)19(27-15-28-22)10-5-16-11-13-29(2)14-16;1-15-5-10-18(30-15)11-12-19-21(24)22(28-14-27-19)29-13-3-4-20(29)16-6-8-17(9-7-16)23(2,25)26;1-22(24,25)17-8-6-16(7-9-17)19-4-3-11-30(19)21-20(23)18(26-14-27-21)10-5-15-12-28-29(2)13-15;22-18-19(26-11-13-3-8-16(30)10-13)27-12-28-20(18)29-9-1-2-17(29)14-4-6-15(7-5-14)21(23,24)25/h6-9,14-15,19H,3-5,10-13H2,1-2H3;6-9,11,13-15,20H,3-5,10,12H2,1-2H3;5-10,14,20H,3-4,11-13H2,1-2H3;6-9,12-14,19H,3-5,10-11H2,1-2H3;4-7,12-13,17H,1-3,8-11H2,(H,26,27,28)
• InChIKey: SVYQOIXVWGZJQW-UHFFFAOYSA-N
• XLogP: 24.77
• TPSA: 230.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2100.31
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one?

The IUPAC name of 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one (CID 160952612) is 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one.

What is the SMILES notation for 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one?

The canonical SMILES for 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one is CN1CC(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)CC1=O.Cc1ccc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)o1.Cn1cc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)cn1.Cn1ccc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)c1.O=C1CCC(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)C1.

What is the InChIKey of 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one?

The InChIKey is SVYQOIXVWGZJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O.C23H25F3N4.C23H24F3N3O.C22H24F3N5.C21H22F4N4O/c1-23(25,26)17-8-6-16(7-9-17)19-4-3-11-30(19)22-21(24)18(27-14-28-22)10-5-15-12-20(31)29(2)13-15;1-23(25,26)18-8-6-17(7-9-18)20-4-3-12-30(20)22-21(24)19(27-15-28-22)10-5-16-11-13-29(2)14-16;1-15-5-10-18(30-15)11-12-19-21(24)22(28-14-27-19)29-13-3-4-20(29)16-6-8-17(9-7-16)23(2,25)26;1-22(24,25)17-8-6-16(7-9-17)19-4-3-11-30(19)21-20(23)18(26-14-27-21)10-5-15-12-28-29(2)13-15;22-18-19(26-11-13-3-8-16(30)10-13)27-12-28-20(18)29-9-1-2-17(29)14-4-6-15(7-5-14)21(23,24)25/h6-9,14-15,19H,3-5,10-13H2,1-2H3;6-9,11,13-15,20H,3-5,10,12H2,1-2H3;5-10,14,20H,3-4,11-13H2,1-2H3;6-9,12-14,19H,3-5,10-11H2,1-2H3;4-7,12-13,17H,1-3,8-11H2,(H,26,27,28).

What are the key properties of 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one?

4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one has a molecular weight of 2100.31 g/mol, XLogP of 24.77, 29 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 160952612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).