N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C131H113ClF21N29O16 — CID 157433635

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157433635) has the molecular formula C131H113ClF21N29O16 and a molecular weight of 2783.94 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 157433635
• Molecular Formula: C131H113ClF21N29O16
• Molecular Weight: 2783.94 g/mol
• Exact Mass: 2781.83
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• SMILES: CC1(O)CCN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@]1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@]1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(F)(F)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(F)(F)C2)c(-c2cncnc2)c1
• InChI: InChI=1S/C23H21F3N4O3.3C22H20F3N5O3.C21H16ClF4N5O2.C21H16F5N5O2/c1-22(32)8-9-30(13-22)20-7-2-15(10-19(20)16-11-27-14-28-12-16)21(31)29-17-3-5-18(6-4-17)33-23(24,25)26;3*1-21(32)6-7-30(12-21)19-18(15-9-26-13-27-10-15)8-14(11-28-19)20(31)29-16-2-4-17(5-3-16)33-22(23,24)25;22-21(25,26)33-16-3-1-15(2-4-16)30-19(32)13-7-17(14-8-27-12-28-9-14)18(29-10-13)31-6-5-20(23,24)11-31;22-20(23)5-6-31(11-20)18-17(14-8-27-12-28-9-14)7-13(10-29-18)19(32)30-15-1-3-16(4-2-15)33-21(24,25)26/h2-7,10-12,14,32H,8-9,13H2,1H3,(H,29,31);3*2-5,8-11,13,32H,6-7,12H2,1H3,(H,29,31);2*1-4,7-10,12H,5-6,11H2,(H,30,32)/t;2*21-;;;/m.10.../s1
• InChIKey: BQVLIWNQBDTGPX-SJNQVXKNSA-N
• XLogP: 24.55
• TPSA: 549.47 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2783.94
LogP ≤ 5	24.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 157433635) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CC1(O)CCN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@]1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@]1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(F)(F)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(F)(F)C2)c(-c2cncnc2)c1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is BQVLIWNQBDTGPX-SJNQVXKNSA-N. The full InChI is InChI=1S/C23H21F3N4O3.3C22H20F3N5O3.C21H16ClF4N5O2.C21H16F5N5O2/c1-22(32)8-9-30(13-22)20-7-2-15(10-19(20)16-11-27-14-28-12-16)21(31)29-17-3-5-18(6-4-17)33-23(24,25)26;3*1-21(32)6-7-30(12-21)19-18(15-9-26-13-27-10-15)8-14(11-28-19)20(31)29-16-2-4-17(5-3-16)33-22(23,24)25;22-21(25,26)33-16-3-1-15(2-4-16)30-19(32)13-7-17(14-8-27-12-28-9-14)18(29-10-13)31-6-5-20(23,24)11-31;22-20(23)5-6-31(11-20)18-17(14-8-27-12-28-9-14)7-13(10-29-18)19(32)30-15-1-3-16(4-2-15)33-21(24,25)26/h2-7,10-12,14,32H,8-9,13H2,1H3,(H,29,31);3*2-5,8-11,13,32H,6-7,12H2,1H3,(H,29,31);2*1-4,7-10,12H,5-6,11H2,(H,30,32)/t;2*21-;;;/m.10.../s1.

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 2783.94 g/mol, XLogP of 24.55, 31 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 157433635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).