(4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide

C159H166N32O23 — CID 158615943

IUPAC(4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4O)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@H]4O)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC(C)(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC(C)(C)[C@@H](OCc3ccccc3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3C[C@@]3(C)C[C@H]3C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3C[C@]3(C)C[C@@H]3C4)c2)C1=O
InChIInChI=1S/C29H31N5O4.2C22H23N5O3.C22H25N5O3.C22H20N4O2.2C21H22N4O4/c1-28(2)17-22-21(16-23(28)38-18-20-7-5-4-6-8-20)25(26(30)35)32-34(22)24-15-19(10-13-31-24)9-11-29(37)12-14-33(3)27(29)36;2*1-21-11-14(21)10-15-16(12-21)27(25-18(15)19(23)28)17-9-13(4-7-24-17)3-5-22(30)6-8-26(2)20(22)29;1-21(2)7-5-15-16(13-21)27(25-18(15)19(23)28)17-12-14(6-10-24-17)4-8-22(30)9-11-26(3)20(22)29;1-15-22(28,12-13-25(15)2)11-10-16-6-5-7-17(14-16)26-19-9-4-3-8-18(19)20(24-26)21(23)27;2*1-24-11-10-21(29,20(24)28)9-8-13-4-2-5-14(12-13)25-15-6-3-7-16(26)17(15)18(23-25)19(22)27/h4-8,10,13,15,23,37H,12,14,16-18H2,1-3H3,(H2,30,35);2*4,7,9,14,30H,6,8,10-12H2,1-2H3,(H2,23,28);6,10,12,30H,5,7,9,11,13H2,1-3H3,(H2,23,28);3-9,14,28H,1,12-13H2,2H3,(H2,23,27);2*2,4-5,12,16,26,29H,3,6-7,10-11H2,1H3,(H2,22,27)/t23-,29-;14-,21-,22+;14-,21-,22-;2*22-;16-,21+;16-,21-/m0100010/s1
InChIKeyHXJRWZBXDRCXKC-BEFGLUKDSA-N
MW2893.28 g/mol
LogP6.35
Rot. Bonds17

About (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide

(4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide (PubChem CID 158615943) has the molecular formula C159H166N32O23 and a molecular weight of 2893.28 g/mol. Its IUPAC name is (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide.

Molecular Properties

Compound Name(4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide
PubChem CID158615943
Molecular FormulaC159H166N32O23
Molecular Weight2893.28 g/mol
Exact Mass2891.28
IUPAC Name(4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4O)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@H]4O)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC(C)(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC(C)(C)[C@@H](OCc3ccccc3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3C[C@@]3(C)C[C@H]3C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3C[C@]3(C)C[C@@H]3C4)c2)C1=O
InChIInChI=1S/C29H31N5O4.2C22H23N5O3.C22H25N5O3.C22H20N4O2.2C21H22N4O4/c1-28(2)17-22-21(16-23(28)38-18-20-7-5-4-6-8-20)25(26(30)35)32-34(22)24-15-19(10-13-31-24)9-11-29(37)12-14-33(3)27(29)36;2*1-21-11-14(21)10-15-16(12-21)27(25-18(15)19(23)28)17-9-13(4-7-24-17)3-5-22(30)6-8-26(2)20(22)29;1-21(2)7-5-15-16(13-21)27(25-18(15)19(23)28)17-12-14(6-10-24-17)4-8-22(30)9-11-26(3)20(22)29;1-15-22(28,12-13-25(15)2)11-10-16-6-5-7-17(14-16)26-19-9-4-3-8-18(19)20(24-26)21(23)27;2*1-24-11-10-21(29,20(24)28)9-8-13-4-2-5-14(12-13)25-15-6-3-7-16(26)17(15)18(23-25)19(22)27/h4-8,10,13,15,23,37H,12,14,16-18H2,1-3H3,(H2,30,35);2*4,7,9,14,30H,6,8,10-12H2,1-2H3,(H2,23,28);6,10,12,30H,5,7,9,11,13H2,1-3H3,(H2,23,28);3-9,14,28H,1,12-13H2,2H3,(H2,23,27);2*2,4-5,12,16,26,29H,3,6-7,10-11H2,1H3,(H2,22,27)/t23-,29-;14-,21-,22+;14-,21-,22-;2*22-;16-,21+;16-,21-/m0100010/s1
InChIKeyHXJRWZBXDRCXKC-BEFGLUKDSA-N
XLogP6.35
TPSA794.33 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds17
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002893.28
LogP ≤ 56.35
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide?
The IUPAC name of (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide (CID 158615943) is (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide.
What is the SMILES notation for (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide?
The canonical SMILES for (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4O)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@H]4O)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC(C)(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC(C)(C)[C@@H](OCc3ccccc3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3C[C@@]3(C)C[C@H]3C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3C[C@]3(C)C[C@@H]3C4)c2)C1=O.
What is the InChIKey of (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide?
The InChIKey is HXJRWZBXDRCXKC-BEFGLUKDSA-N. The full InChI is InChI=1S/C29H31N5O4.2C22H23N5O3.C22H25N5O3.C22H20N4O2.2C21H22N4O4/c1-28(2)17-22-21(16-23(28)38-18-20-7-5-4-6-8-20)25(26(30)35)32-34(22)24-15-19(10-13-31-24)9-11-29(37)12-14-33(3)27(29)36;2*1-21-11-14(21)10-15-16(12-21)27(25-18(15)19(23)28)17-9-13(4-7-24-17)3-5-22(30)6-8-26(2)20(22)29;1-21(2)7-5-15-16(13-21)27(25-18(15)19(23)28)17-12-14(6-10-24-17)4-8-22(30)9-11-26(3)20(22)29;1-15-22(28,12-13-25(15)2)11-10-16-6-5-7-17(14-16)26-19-9-4-3-8-18(19)20(24-26)21(23)27;2*1-24-11-10-21(29,20(24)28)9-8-13-4-2-5-14(12-13)25-15-6-3-7-16(26)17(15)18(23-25)19(22)27/h4-8,10,13,15,23,37H,12,14,16-18H2,1-3H3,(H2,30,35);2*4,7,9,14,30H,6,8,10-12H2,1-2H3,(H2,23,28);6,10,12,30H,5,7,9,11,13H2,1-3H3,(H2,23,28);3-9,14,28H,1,12-13H2,2H3,(H2,23,27);2*2,4-5,12,16,26,29H,3,6-7,10-11H2,1H3,(H2,22,27)/t23-,29-;14-,21-,22+;14-,21-,22-;2*22-;16-,21+;16-,21-/m0100010/s1.
What are the key properties of (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide?
(4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide has a molecular weight of 2893.28 g/mol, XLogP of 6.35, 17 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5aS)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4aS,5aR)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide;(4R)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-4-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide;(5S)-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide is sourced from PubChem (CID 158615943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).