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-[(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

C126H118N26O24S2 — CID 158595444

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-[(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
SMILESCN1CC[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/2C21H23N5O4S.4C21H18N4O4/c2*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/h2*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)/t21-,31+;21-,31-;2*17-,21+;2*17-,21-/m001010/s1
InChIKeyHUYVVYNUPCZKCJ-WWUOPFQKSA-N
MW2444.62 g/mol
LogP-0.71
Rot. Bonds14

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-[(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-[(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 158595444) has the molecular formula C126H118N26O24S2 and a molecular weight of 2444.62 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-[(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-[(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 CID158595444
Molecular FormulaC126H118N26O24S2
Molecular Weight2444.62 g/mol
Exact Mass2442.83
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-[(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
SMILESCN1CC[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/2C21H23N5O4S.4C21H18N4O4/c2*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/h2*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)/t21-,31+;21-,31-;2*17-,21+;2*17-,21-/m001010/s1
InChIKeyHUYVVYNUPCZKCJ-WWUOPFQKSA-N
XLogP-0.71
TPSA730.24 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds14
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002444.62
LogP ≤ 5-0.71
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

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-[(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

1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methylsulfinyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 157169873
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
4-(cyclopropylmethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R,4S)-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]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 159981958
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
CID 160175508
6-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(7S)-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;4-(cyclopropylmethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-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)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrazolo[4,3-c]pyridine-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]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 160178785

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-[(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-[(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 158595444) 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-[(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-[(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-[(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 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-[(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 HUYVVYNUPCZKCJ-WWUOPFQKSA-N. The full InChI is InChI=1S/2C21H23N5O4S.4C21H18N4O4/c2*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/h2*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)/t21-,31+;21-,31-;2*17-,21+;2*17-,21-/m001010/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-[(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-[(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 2444.62 g/mol, XLogP of -0.71, 14 rotatable bonds, 16 hydrogen bond donors, and 36 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-[(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 158595444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).