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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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

C134H124N34O15S — CID 158251580

IUPAC1-[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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2CCC3)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)c4c3CCN(c3ncccn3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(c3nccs3)C4)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/2C24H23N7O3.C23H22N6O3S.2C21H17N5O2.C21H22N4O2/c1-29-13-9-24(34,22(29)33)8-6-16-4-2-5-17(14-16)31-19-7-12-30(23-26-10-3-11-27-23)15-18(19)20(28-31)21(25)32;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;1-27-11-8-23(32,21(27)31)7-5-15-3-2-4-16(13-15)29-18-6-10-28(22-25-9-12-33-22)14-17(18)19(26-29)20(24)30;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/h2-5,10-11,14,34H,7,9,12-13,15H2,1H3,(H2,25,32);2-4,6,10,13,15,34H,7,9,11-12,14H2,1H3,(H2,25,32);2-4,9,12-13,32H,6,8,10-11,14H2,1H3,(H2,24,30);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)/t2*24-;23-;3*21-/m000100/s1
InChIKeyGGTWRYKVNHISGO-GCJLAXBNSA-N
MW2482.76 g/mol
LogP8.02
Rot. Bonds17

About 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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

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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 158251580) has the molecular formula C134H124N34O15S and a molecular weight of 2482.76 g/mol. Its IUPAC name is 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 Name1-[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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 CID158251580
Molecular FormulaC134H124N34O15S
Molecular Weight2482.76 g/mol
Exact Mass2480.97
IUPAC Name1-[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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2CCC3)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)c4c3CCN(c3ncccn3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(c3nccs3)C4)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/2C24H23N7O3.C23H22N6O3S.2C21H17N5O2.C21H22N4O2/c1-29-13-9-24(34,22(29)33)8-6-16-4-2-5-17(14-16)31-19-7-12-30(23-26-10-3-11-27-23)15-18(19)20(28-31)21(25)32;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;1-27-11-8-23(32,21(27)31)7-5-15-3-2-4-16(13-15)29-18-6-10-28(22-25-9-12-33-22)14-17(18)19(26-29)20(24)30;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/h2-5,10-11,14,34H,7,9,12-13,15H2,1H3,(H2,25,32);2-4,6,10,13,15,34H,7,9,11-12,14H2,1H3,(H2,25,32);2-4,9,12-13,32H,6,8,10-11,14H2,1H3,(H2,24,30);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)/t2*24-;23-;3*21-/m000100/s1
InChIKeyGGTWRYKVNHISGO-GCJLAXBNSA-N
XLogP8.02
TPSA674.62 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds17
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002482.76
LogP ≤ 58.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 158251580) is 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2CCC3)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)c4c3CCN(c3ncccn3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(c3nccs3)C4)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 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 GGTWRYKVNHISGO-GCJLAXBNSA-N. The full InChI is InChI=1S/2C24H23N7O3.C23H22N6O3S.2C21H17N5O2.C21H22N4O2/c1-29-13-9-24(34,22(29)33)8-6-16-4-2-5-17(14-16)31-19-7-12-30(23-26-10-3-11-27-23)15-18(19)20(28-31)21(25)32;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;1-27-11-8-23(32,21(27)31)7-5-15-3-2-4-16(13-15)29-18-6-10-28(22-25-9-12-33-22)14-17(18)19(26-29)20(24)30;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/h2-5,10-11,14,34H,7,9,12-13,15H2,1H3,(H2,25,32);2-4,6,10,13,15,34H,7,9,11-12,14H2,1H3,(H2,25,32);2-4,9,12-13,32H,6,8,10-11,14H2,1H3,(H2,24,30);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)/t2*24-;23-;3*21-/m000100/s1.
What are the key properties of 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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?
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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 2482.76 g/mol, XLogP of 8.02, 17 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-pyrimidin-2-yl-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-pyrimidin-4-yl-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-(1,3-thiazol-2-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 158251580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).