4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide

C117H101Cl4F14N23O16 — CID 159755910

IUPAC4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide
SMILESCO[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncc(F)c2)C[C@@H]1N.CO[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncc(F)c2)C[C@@H]1N.C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cnccc2C#N)C[C@@H]1O.N#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)c1.N[C@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncc(F)c2)C[C@@H]1O
InChIInChI=1S/C25H21ClF2N4O3.C23H21ClF3N5O3.C23H20ClF3N4O3.C23H18ClF2N5O4.C23H21F4N5O3/c1-15-13-32(14-23(15)33)22-7-2-16(10-20(22)21-12-30-9-8-17(21)11-29)24(34)31-18-3-5-19(6-4-18)35-25(26,27)28;1-34-20-12-32(11-19(20)28)21-18(13-6-15(25)10-29-8-13)7-14(9-30-21)22(33)31-16-2-4-17(5-3-16)35-23(24,26)27;24-23(26,27)34-17-4-2-16(3-5-17)30-22(33)13-1-6-20(31-11-19(28)21(32)12-31)18(8-13)14-7-15(25)10-29-9-14;24-23(25,26)35-17-3-1-16(2-4-17)30-22(34)15-6-18(14-5-13(7-27)8-28-9-14)21(29-10-15)31-11-19(32)20(33)12-31;1-34-20-12-32(11-19(20)28)21-18(13-6-15(24)10-29-8-13)7-14(9-30-21)22(33)31-16-2-4-17(5-3-16)35-23(25,26)27/h2-10,12,15,23,33H,13-14H2,1H3,(H,31,34);2-10,19-20H,11-12,28H2,1H3,(H,31,33);1-10,19,21,32H,11-12,28H2,(H,30,33);1-6,8-10,19-20,32-33H,11-12H2,(H,30,34);2-10,19-20H,11-12,28H2,1H3,(H,31,33)/t15-,23-;19-,20-;19-,21-;2*19-,20-/m00000/s1
InChIKeyNEGIEJFWKJVUNE-QYJOSVQYSA-N
MW2493.02 g/mol
LogP19.11
Rot. Bonds31

About 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide

4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide (PubChem CID 159755910) has the molecular formula C117H101Cl4F14N23O16 and a molecular weight of 2493.02 g/mol. Its IUPAC name is 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide
PubChem CID159755910
Molecular FormulaC117H101Cl4F14N23O16
Molecular Weight2493.02 g/mol
Exact Mass2489.63
IUPAC Name4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide
SMILESCO[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncc(F)c2)C[C@@H]1N.CO[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncc(F)c2)C[C@@H]1N.C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cnccc2C#N)C[C@@H]1O.N#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)c1.N[C@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncc(F)c2)C[C@@H]1O
InChIInChI=1S/C25H21ClF2N4O3.C23H21ClF3N5O3.C23H20ClF3N4O3.C23H18ClF2N5O4.C23H21F4N5O3/c1-15-13-32(14-23(15)33)22-7-2-16(10-20(22)21-12-30-9-8-17(21)11-29)24(34)31-18-3-5-19(6-4-18)35-25(26,27)28;1-34-20-12-32(11-19(20)28)21-18(13-6-15(25)10-29-8-13)7-14(9-30-21)22(33)31-16-2-4-17(5-3-16)35-23(24,26)27;24-23(26,27)34-17-4-2-16(3-5-17)30-22(33)13-1-6-20(31-11-19(28)21(32)12-31)18(8-13)14-7-15(25)10-29-9-14;24-23(25,26)35-17-3-1-16(2-4-17)30-22(34)15-6-18(14-5-13(7-27)8-28-9-14)21(29-10-15)31-11-19(32)20(33)12-31;1-34-20-12-32(11-19(20)28)21-18(13-6-15(24)10-29-8-13)7-14(9-30-21)22(33)31-16-2-4-17(5-3-16)35-23(25,26)27/h2-10,12,15,23,33H,13-14H2,1H3,(H,31,34);2-10,19-20H,11-12,28H2,1H3,(H,31,33);1-10,19,21,32H,11-12,28H2,(H,30,33);1-6,8-10,19-20,32-33H,11-12H2,(H,30,34);2-10,19-20H,11-12,28H2,1H3,(H,31,33)/t15-,23-;19-,20-;19-,21-;2*19-,20-/m00000/s1
InChIKeyNEGIEJFWKJVUNE-QYJOSVQYSA-N
XLogP19.11
TPSA535.99 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002493.02
LogP ≤ 519.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide with MolForge

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Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 118919228
5-(5-fluoro-3-pyridinyl)-6-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919223
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 118198901
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 118919276
4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118919222
6-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 154012609
6-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 159512479
5-(4-cyano-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-ethyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157086001
6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919180
6-[(3R)-3-aminopiperidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118198920
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypyrrolidin-1-yl)-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 118195396
6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118195308

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide?
The IUPAC name of 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide (CID 159755910) is 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide.
What is the SMILES notation for 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide?
The canonical SMILES for 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide is CO[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncc(F)c2)C[C@@H]1N.CO[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncc(F)c2)C[C@@H]1N.C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cnccc2C#N)C[C@@H]1O.N#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)c1.N[C@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncc(F)c2)C[C@@H]1O.
What is the InChIKey of 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide?
The InChIKey is NEGIEJFWKJVUNE-QYJOSVQYSA-N. The full InChI is InChI=1S/C25H21ClF2N4O3.C23H21ClF3N5O3.C23H20ClF3N4O3.C23H18ClF2N5O4.C23H21F4N5O3/c1-15-13-32(14-23(15)33)22-7-2-16(10-20(22)21-12-30-9-8-17(21)11-29)24(34)31-18-3-5-19(6-4-18)35-25(26,27)28;1-34-20-12-32(11-19(20)28)21-18(13-6-15(25)10-29-8-13)7-14(9-30-21)22(33)31-16-2-4-17(5-3-16)35-23(24,26)27;24-23(26,27)34-17-4-2-16(3-5-17)30-22(33)13-1-6-20(31-11-19(28)21(32)12-31)18(8-13)14-7-15(25)10-29-9-14;24-23(25,26)35-17-3-1-16(2-4-17)30-22(34)15-6-18(14-5-13(7-27)8-28-9-14)21(29-10-15)31-11-19(32)20(33)12-31;1-34-20-12-32(11-19(20)28)21-18(13-6-15(24)10-29-8-13)7-14(9-30-21)22(33)31-16-2-4-17(5-3-16)35-23(25,26)27/h2-10,12,15,23,33H,13-14H2,1H3,(H,31,34);2-10,19-20H,11-12,28H2,1H3,(H,31,33);1-10,19,21,32H,11-12,28H2,(H,30,33);1-6,8-10,19-20,32-33H,11-12H2,(H,30,34);2-10,19-20H,11-12,28H2,1H3,(H,31,33)/t15-,23-;19-,20-;19-,21-;2*19-,20-/m00000/s1.
What are the key properties of 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide?
4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide has a molecular weight of 2493.02 g/mol, XLogP of 19.11, 31 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-fluoro-3-pyridinyl)benzamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-cyano-3-pyridinyl)-4-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]benzamide is sourced from PubChem (CID 159755910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).