1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C150H143N31O26S2 — CID 159002520

IUPAC1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCc1nccc2c1c(C(N)=O)nn2-c1cccc(C#C[C@]2(C)CCN(C)C2=O)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN([S@@](C)=O)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN([S@](C)=O)C4)c2)C1=O.CN1C[C@@H](O)[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.CN1C[C@@H](O)[C@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.CN1C[C@H](O)[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.CN1C[C@H](O)[C@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O
InChIInChI=1S/C24H25N5O2.2C21H23N5O4S.4C21H18N4O4/c1-4-6-18-20-19(10-13-26-18)29(27-21(20)22(25)30)17-8-5-7-16(15-17)9-11-24(2)12-14-28(3)23(24)31;2*1-24-11-9-21(29,20(24)28)8-6-14-4-3-5-15(12-14)26-17-7-10-25(31(2)30)13-16(17)18(23-26)19(22)27;4*1-24-12-17(26)21(29,20(24)28)10-9-13-5-4-6-14(11-13)25-16-8-3-2-7-15(16)18(23-25)19(22)27/h5,7-8,10,13,15H,4,6,12,14H2,1-3H3,(H2,25,30);2*3-5,12,29H,7,9-11,13H2,1-2H3,(H2,22,27);4*2-8,11,17,26,29H,12H2,1H3,(H2,22,27)/t24-;21-,31+;21-,31-;2*17-,21+;2*17-,21-/m1001010/s1
InChIKeyJRMXNEGYGMOYBL-OISQIDOWSA-N
MW2860.12 g/mol
LogP1.99
Rot. Bonds18

About 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 159002520) has the molecular formula C150H143N31O26S2 and a molecular weight of 2860.12 g/mol. Its IUPAC name is 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID159002520
Molecular FormulaC150H143N31O26S2
Molecular Weight2860.12 g/mol
Exact Mass2858.03
IUPAC Name1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCc1nccc2c1c(C(N)=O)nn2-c1cccc(C#C[C@]2(C)CCN(C)C2=O)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN([S@@](C)=O)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN([S@](C)=O)C4)c2)C1=O.CN1C[C@@H](O)[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.CN1C[C@@H](O)[C@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.CN1C[C@H](O)[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.CN1C[C@H](O)[C@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O
InChIInChI=1S/C24H25N5O2.2C21H23N5O4S.4C21H18N4O4/c1-4-6-18-20-19(10-13-26-18)29(27-21(20)22(25)30)17-8-5-7-16(15-17)9-11-24(2)12-14-28(3)23(24)31;2*1-24-11-9-21(29,20(24)28)8-6-14-4-3-5-15(12-14)26-17-7-10-25(31(2)30)13-16(17)18(23-26)19(22)27;4*1-24-12-17(26)21(29,20(24)28)10-9-13-5-4-6-14(11-13)25-16-8-3-2-7-15(16)18(23-25)19(22)27/h5,7-8,10,13,15H,4,6,12,14H2,1-3H3,(H2,25,30);2*3-5,12,29H,7,9-11,13H2,1-2H3,(H2,22,27);4*2-8,11,17,26,29H,12H2,1H3,(H2,22,27)/t24-;21-,31+;21-,31-;2*17-,21+;2*17-,21-/m1001010/s1
InChIKeyJRMXNEGYGMOYBL-OISQIDOWSA-N
XLogP1.99
TPSA824.35 Ų
H-Bond Donors17
H-Bond Acceptors41
Rotatable Bonds18
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002860.12
LogP ≤ 51.99
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 159002520) is 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCCc1nccc2c1c(C(N)=O)nn2-c1cccc(C#C[C@]2(C)CCN(C)C2=O)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN([S@@](C)=O)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN([S@](C)=O)C4)c2)C1=O.CN1C[C@@H](O)[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.CN1C[C@@H](O)[C@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.CN1C[C@H](O)[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.CN1C[C@H](O)[C@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.
What is the InChIKey of 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is JRMXNEGYGMOYBL-OISQIDOWSA-N. The full InChI is InChI=1S/C24H25N5O2.2C21H23N5O4S.4C21H18N4O4/c1-4-6-18-20-19(10-13-26-18)29(27-21(20)22(25)30)17-8-5-7-16(15-17)9-11-24(2)12-14-28(3)23(24)31;2*1-24-11-9-21(29,20(24)28)8-6-14-4-3-5-15(12-14)26-17-7-10-25(31(2)30)13-16(17)18(23-26)19(22)27;4*1-24-12-17(26)21(29,20(24)28)10-9-13-5-4-6-14(11-13)25-16-8-3-2-7-15(16)18(23-25)19(22)27/h5,7-8,10,13,15H,4,6,12,14H2,1-3H3,(H2,25,30);2*3-5,12,29H,7,9-11,13H2,1-2H3,(H2,22,27);4*2-8,11,17,26,29H,12H2,1H3,(H2,22,27)/t24-;21-,31+;21-,31-;2*17-,21+;2*17-,21-/m1001010/s1.
What are the key properties of 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 2860.12 g/mol, XLogP of 1.99, 18 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(3S,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4S)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R,4R)-3,4-dihydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-propylpyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(R)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[(S)-methylsulfinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 159002520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).