N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide

C137H131Cl3F18N30O12S2 — CID 158808214

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)c(OC)n1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(C(F)(F)C(F)(F)Cl)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(C)(C)C)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)C(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)Cl)cc3)cc2-c2cncnc2)C1
InChIInChI=1S/C25H29N5O2.C23H20ClF4N5O.C23H22ClF2N5O5.C23H20F5N5O2.C22H20ClF2N5OS.C21H20F5N5OS/c1-17-9-10-30(15-17)23-22(19-12-26-16-27-13-19)11-18(14-28-23)24(31)29-20-5-7-21(8-6-20)32-25(2,3)4;1-14-6-7-33(12-14)20-19(16-9-29-13-30-10-16)8-15(11-31-20)21(34)32-18-4-2-17(3-5-18)22(25,26)23(24,27)28;1-34-21-18(11-28-22(30-21)35-2)17-9-13(10-27-19(17)31-8-7-15(32)12-31)20(33)29-14-3-5-16(6-4-14)36-23(24,25)26;1-14-6-7-33(12-14)20-19(16-9-29-13-30-10-16)8-15(11-31-20)21(34)32-17-2-4-18(5-3-17)35-23(27,28)22(24,25)26;1-14-6-7-30(12-14)20-19(16-9-26-13-27-10-16)8-15(11-28-20)21(31)29-17-2-4-18(5-3-17)32-22(23,24)25;1-14-6-7-31(12-14)20-19(16-9-27-13-28-10-16)8-15(11-29-20)21(32)30-17-2-4-18(5-3-17)33(22,23,24,25)26/h5-8,11-14,16-17H,9-10,15H2,1-4H3,(H,29,31);2-5,8-11,13-14H,6-7,12H2,1H3,(H,32,34);3-6,9-11,15,32H,7-8,12H2,1-2H3,(H,29,33);2-5,8-11,13-14H,6-7,12H2,1H3,(H,32,34);2-5,8-11,13-14H,6-7,12H2,1H3,(H,29,31);2-5,8-11,13-14H,6-7,12H2,1H3,(H,30,32)/t17-;14-;15-;3*14-/m111111/s1
InChIKeyIUISDWPGZGJJGA-ZKAFJEGUSA-N
MW2902.21 g/mol
LogP30.91
Rot. Bonds36

About N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide (PubChem CID 158808214) has the molecular formula C137H131Cl3F18N30O12S2 and a molecular weight of 2902.21 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide
PubChem CID158808214
Molecular FormulaC137H131Cl3F18N30O12S2
Molecular Weight2902.21 g/mol
Exact Mass2898.88
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)c(OC)n1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(C(F)(F)C(F)(F)Cl)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(C)(C)C)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)C(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)Cl)cc3)cc2-c2cncnc2)C1
InChIInChI=1S/C25H29N5O2.C23H20ClF4N5O.C23H22ClF2N5O5.C23H20F5N5O2.C22H20ClF2N5OS.C21H20F5N5OS/c1-17-9-10-30(15-17)23-22(19-12-26-16-27-13-19)11-18(14-28-23)24(31)29-20-5-7-21(8-6-20)32-25(2,3)4;1-14-6-7-33(12-14)20-19(16-9-29-13-30-10-16)8-15(11-31-20)21(34)32-18-4-2-17(3-5-18)22(25,26)23(24,27)28;1-34-21-18(11-28-22(30-21)35-2)17-9-13(10-27-19(17)31-8-7-15(32)12-31)20(33)29-14-3-5-16(6-4-14)36-23(24,25)26;1-14-6-7-33(12-14)20-19(16-9-29-13-30-10-16)8-15(11-31-20)21(34)32-17-2-4-18(5-3-17)35-23(27,28)22(24,25)26;1-14-6-7-30(12-14)20-19(16-9-26-13-27-10-16)8-15(11-28-20)21(31)29-17-2-4-18(5-3-17)32-22(23,24)25;1-14-6-7-31(12-14)20-19(16-9-27-13-28-10-16)8-15(11-29-20)21(32)30-17-2-4-18(5-3-17)33(22,23,24,25)26/h5-8,11-14,16-17H,9-10,15H2,1-4H3,(H,29,31);2-5,8-11,13-14H,6-7,12H2,1H3,(H,32,34);3-6,9-11,15,32H,7-8,12H2,1-2H3,(H,29,33);2-5,8-11,13-14H,6-7,12H2,1H3,(H,32,34);2-5,8-11,13-14H,6-7,12H2,1H3,(H,29,31);2-5,8-11,13-14H,6-7,12H2,1H3,(H,30,32)/t17-;14-;15-;3*14-/m111111/s1
InChIKeyIUISDWPGZGJJGA-ZKAFJEGUSA-N
XLogP30.91
TPSA492.44 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002902.21
LogP ≤ 530.91
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide (CID 158808214) is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide is COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)c(OC)n1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(C(F)(F)C(F)(F)Cl)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(C)(C)C)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)C(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide?
The InChIKey is IUISDWPGZGJJGA-ZKAFJEGUSA-N. The full InChI is InChI=1S/C25H29N5O2.C23H20ClF4N5O.C23H22ClF2N5O5.C23H20F5N5O2.C22H20ClF2N5OS.C21H20F5N5OS/c1-17-9-10-30(15-17)23-22(19-12-26-16-27-13-19)11-18(14-28-23)24(31)29-20-5-7-21(8-6-20)32-25(2,3)4;1-14-6-7-33(12-14)20-19(16-9-29-13-30-10-16)8-15(11-31-20)21(34)32-18-4-2-17(3-5-18)22(25,26)23(24,27)28;1-34-21-18(11-28-22(30-21)35-2)17-9-13(10-27-19(17)31-8-7-15(32)12-31)20(33)29-14-3-5-16(6-4-14)36-23(24,25)26;1-14-6-7-33(12-14)20-19(16-9-29-13-30-10-16)8-15(11-31-20)21(34)32-17-2-4-18(5-3-17)35-23(27,28)22(24,25)26;1-14-6-7-30(12-14)20-19(16-9-26-13-27-10-16)8-15(11-28-20)21(31)29-17-2-4-18(5-3-17)32-22(23,24)25;1-14-6-7-31(12-14)20-19(16-9-27-13-28-10-16)8-15(11-29-20)21(32)30-17-2-4-18(5-3-17)33(22,23,24,25)26/h5-8,11-14,16-17H,9-10,15H2,1-4H3,(H,29,31);2-5,8-11,13-14H,6-7,12H2,1H3,(H,32,34);3-6,9-11,15,32H,7-8,12H2,1-2H3,(H,29,33);2-5,8-11,13-14H,6-7,12H2,1H3,(H,32,34);2-5,8-11,13-14H,6-7,12H2,1H3,(H,29,31);2-5,8-11,13-14H,6-7,12H2,1H3,(H,30,32)/t17-;14-;15-;3*14-/m111111/s1.
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide has a molecular weight of 2902.21 g/mol, XLogP of 30.91, 36 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,4-dimethoxypyrimidin-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(2-chloro-1,1,2,2-tetrafluoroethyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 158808214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).