5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide

C177H159N39O19 — CID 159384050

IUPAC5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide
SMILESC=C1CCC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.C=C1CCC[C@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2CCC3)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3cncnc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(c3ccncn3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(-c5cnn(CCO)c5)ccc43)c2)C1=O.C[C@@](O)(C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1)C1=CCN=N1.C[C@](O)(C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1)C1=CCN=N1
InChIInChI=1S/C26H24N6O4.C24H23N7O3.2C22H19N3O2.2C21H17N5O2.C21H22N4O2.C20H18N6O2/c1-30-10-9-26(36,25(30)35)8-7-17-3-2-4-20(13-17)32-22-6-5-18(14-21(22)23(29-32)24(27)34)19-15-28-31(16-19)11-12-33;1-29-12-9-24(34,23(29)33)8-5-16-3-2-4-17(13-16)31-19-7-11-30(20-6-10-26-15-27-20)14-18(19)21(28-31)22(25)32;2*1-15-6-5-12-22(15,27)13-11-16-7-4-8-17(14-16)25-19-10-3-2-9-18(19)20(24-25)21(23)26;2*1-21(28,18-10-12-23-24-18)11-9-14-5-4-6-15(13-14)26-17-8-3-2-7-16(17)19(25-26)20(22)27;1-14-21(27,11-12-24(14)2)10-9-15-5-3-6-16(13-15)25-18-8-4-7-17(18)19(23-25)20(22)26;1-13-20(28,8-9-25(13)2)7-6-14-4-3-5-15(10-14)26-19-16(11-22-12-23-19)17(24-26)18(21)27/h2-6,13-16,33,36H,9-12H2,1H3,(H2,27,34);2-4,6,10,13,15,34H,7,9,11-12,14H2,1H3,(H2,25,32);2*2-4,7-10,14,27H,1,5-6,12H2,(H2,23,26);2*2-8,10,13,28H,12H2,1H3,(H2,22,27);3,5-6,13,27H,1,4,7-8,11-12H2,2H3,(H2,22,26);3-5,10-12,28H,1,8-9H2,2H3,(H2,21,27)/t26-;24-;2*22-;3*21-;20-/m00101000/s1
InChIKeyLLGTWCQUFDGTOZ-NSESHGRJSA-N
MW3136.47 g/mol
LogP14.48
Rot. Bonds22

About 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide

5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide (PubChem CID 159384050) has the molecular formula C177H159N39O19 and a molecular weight of 3136.47 g/mol. Its IUPAC name is 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide
PubChem CID159384050
Molecular FormulaC177H159N39O19
Molecular Weight3136.47 g/mol
Exact Mass3134.27
IUPAC Name5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide
SMILESC=C1CCC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.C=C1CCC[C@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2CCC3)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3cncnc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(c3ccncn3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(-c5cnn(CCO)c5)ccc43)c2)C1=O.C[C@@](O)(C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1)C1=CCN=N1.C[C@](O)(C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1)C1=CCN=N1
InChIInChI=1S/C26H24N6O4.C24H23N7O3.2C22H19N3O2.2C21H17N5O2.C21H22N4O2.C20H18N6O2/c1-30-10-9-26(36,25(30)35)8-7-17-3-2-4-20(13-17)32-22-6-5-18(14-21(22)23(29-32)24(27)34)19-15-28-31(16-19)11-12-33;1-29-12-9-24(34,23(29)33)8-5-16-3-2-4-17(13-16)31-19-7-11-30(20-6-10-26-15-27-20)14-18(19)21(28-31)22(25)32;2*1-15-6-5-12-22(15,27)13-11-16-7-4-8-17(14-16)25-19-10-3-2-9-18(19)20(24-25)21(23)26;2*1-21(28,18-10-12-23-24-18)11-9-14-5-4-6-15(13-14)26-17-8-3-2-7-16(17)19(25-26)20(22)27;1-14-21(27,11-12-24(14)2)10-9-15-5-3-6-16(13-15)25-18-8-4-7-17(18)19(23-25)20(22)26;1-13-20(28,8-9-25(13)2)7-6-14-4-3-5-15(10-14)26-19-16(11-22-12-23-19)17(24-26)18(21)27/h2-6,13-16,33,36H,9-12H2,1H3,(H2,27,34);2-4,6,10,13,15,34H,7,9,11-12,14H2,1H3,(H2,25,32);2*2-4,7-10,14,27H,1,5-6,12H2,(H2,23,26);2*2-8,10,13,28H,12H2,1H3,(H2,22,27);3,5-6,13,27H,1,4,7-8,11-12H2,2H3,(H2,22,26);3-5,10-12,28H,1,8-9H2,2H3,(H2,21,27)/t26-;24-;2*22-;3*21-;20-/m00101000/s1
InChIKeyLLGTWCQUFDGTOZ-NSESHGRJSA-N
XLogP14.48
TPSA838.51 Ų
H-Bond Donors17
H-Bond Acceptors48
Rotatable Bonds22
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003136.47
LogP ≤ 514.48
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide?
The IUPAC name of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide (CID 159384050) is 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide.
What is the SMILES notation for 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide?
The canonical SMILES for 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide is C=C1CCC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.C=C1CCC[C@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2CCC3)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3cncnc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(c3ccncn3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(-c5cnn(CCO)c5)ccc43)c2)C1=O.C[C@@](O)(C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1)C1=CCN=N1.C[C@](O)(C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1)C1=CCN=N1.
What is the InChIKey of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide?
The InChIKey is LLGTWCQUFDGTOZ-NSESHGRJSA-N. The full InChI is InChI=1S/C26H24N6O4.C24H23N7O3.2C22H19N3O2.2C21H17N5O2.C21H22N4O2.C20H18N6O2/c1-30-10-9-26(36,25(30)35)8-7-17-3-2-4-20(13-17)32-22-6-5-18(14-21(22)23(29-32)24(27)34)19-15-28-31(16-19)11-12-33;1-29-12-9-24(34,23(29)33)8-5-16-3-2-4-17(13-16)31-19-7-11-30(20-6-10-26-15-27-20)14-18(19)21(28-31)22(25)32;2*1-15-6-5-12-22(15,27)13-11-16-7-4-8-17(14-16)25-19-10-3-2-9-18(19)20(24-25)21(23)26;2*1-21(28,18-10-12-23-24-18)11-9-14-5-4-6-15(13-14)26-17-8-3-2-7-16(17)19(25-26)20(22)27;1-14-21(27,11-12-24(14)2)10-9-15-5-3-6-16(13-15)25-18-8-4-7-17(18)19(23-25)20(22)26;1-13-20(28,8-9-25(13)2)7-6-14-4-3-5-15(10-14)26-19-16(11-22-12-23-19)17(24-26)18(21)27/h2-6,13-16,33,36H,9-12H2,1H3,(H2,27,34);2-4,6,10,13,15,34H,7,9,11-12,14H2,1H3,(H2,25,32);2*2-4,7-10,14,27H,1,5-6,12H2,(H2,23,26);2*2-8,10,13,28H,12H2,1H3,(H2,22,27);3,5-6,13,27H,1,4,7-8,11-12H2,2H3,(H2,22,26);3-5,10-12,28H,1,8-9H2,2H3,(H2,21,27)/t26-;24-;2*22-;3*21-;20-/m00101000/s1.
What are the key properties of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide?
5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide has a molecular weight of 3136.47 g/mol, XLogP of 14.48, 22 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1S)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(1R)-1-hydroxy-2-methylidenecyclopentyl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[(3S)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(3H-pyrazol-5-yl)but-1-ynyl]phenyl]indazole-3-carboxamide is sourced from PubChem (CID 159384050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).