4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide

C164H160ClF3N34O21 — CID 157396619

IUPAC4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c(Cl)cccc43)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4n3cccn3)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@H]4n3cccn3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cc(-n3nc(C(N)=O)c4cccnc43)cc(C(F)(F)F)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4CC(=O)C3CC3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(C3COC3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(CO)ccc43)c2)C1=O
InChIInChI=1S/C26H28N4O4.2C25H26N6O2.C23H25N5O4.C22H19ClN4O2.C22H20N4O4.C21H16F3N5O3/c1-29-13-12-26(34,25(29)33)11-10-16-4-2-6-19(14-16)30-20-7-3-5-18(15-21(31)17-8-9-17)22(20)23(28-30)24(27)32;2*1-25(12-15-29(2)24(25)33)11-10-17-6-3-7-18(16-17)31-20-9-4-8-19(30-14-5-13-27-30)21(20)22(28-31)23(26)32;1-26-10-8-23(31,22(26)30)7-5-15-3-2-4-16(11-15)28-19-6-9-27(17-13-32-14-17)12-18(19)20(25-28)21(24)29;1-22(11-12-26(2)21(22)29)10-9-14-5-3-6-15(13-14)27-17-8-4-7-16(23)18(17)19(25-27)20(24)28;1-25-10-9-22(30,21(25)29)8-7-14-3-2-4-16(11-14)26-18-6-5-15(13-27)12-17(18)19(24-26)20(23)28;1-28-8-6-20(32,19(28)31)5-4-12-9-13(21(22,23)24)11-14(10-12)29-18-15(3-2-7-26-18)16(27-29)17(25)30/h2,4,6,14,17-18,34H,3,5,7-9,12-13,15H2,1H3,(H2,27,32);2*3,5-7,13-14,16,19H,4,8-9,12,15H2,1-2H3,(H2,26,32);2-4,11,17,31H,6,8-10,12-14H2,1H3,(H2,24,29);3-8,13H,11-12H2,1-2H3,(H2,24,28);2-6,11-12,27,30H,9-10,13H2,1H3,(H2,23,28);2-3,7,9-11,32H,6,8H2,1H3,(H2,25,30)/t18-,26+;19-,25+;19-,25-;23-;2*22-;20-/m1010100/s1
InChIKeyBMQJNXNIGIMTEE-RMFYVWTQSA-N
MW3035.75 g/mol
LogP11.05
Rot. Bonds21

About 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide

4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 157396619) has the molecular formula C164H160ClF3N34O21 and a molecular weight of 3035.75 g/mol. Its IUPAC name is 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID157396619
Molecular FormulaC164H160ClF3N34O21
Molecular Weight3035.75 g/mol
Exact Mass3033.21
IUPAC Name4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c(Cl)cccc43)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4n3cccn3)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@H]4n3cccn3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cc(-n3nc(C(N)=O)c4cccnc43)cc(C(F)(F)F)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4CC(=O)C3CC3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(C3COC3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(CO)ccc43)c2)C1=O
InChIInChI=1S/C26H28N4O4.2C25H26N6O2.C23H25N5O4.C22H19ClN4O2.C22H20N4O4.C21H16F3N5O3/c1-29-13-12-26(34,25(29)33)11-10-16-4-2-6-19(14-16)30-20-7-3-5-18(15-21(31)17-8-9-17)22(20)23(28-30)24(27)32;2*1-25(12-15-29(2)24(25)33)11-10-17-6-3-7-18(16-17)31-20-9-4-8-19(30-14-5-13-27-30)21(20)22(28-31)23(26)32;1-26-10-8-23(31,22(26)30)7-5-15-3-2-4-16(11-15)28-19-6-9-27(17-13-32-14-17)12-18(19)20(25-28)21(24)29;1-22(11-12-26(2)21(22)29)10-9-14-5-3-6-15(13-14)27-17-8-4-7-16(23)18(17)19(25-27)20(24)28;1-25-10-9-22(30,21(25)29)8-7-14-3-2-4-16(11-14)26-18-6-5-15(13-27)12-17(18)19(24-26)20(23)28;1-28-8-6-20(32,19(28)31)5-4-12-9-13(21(22,23)24)11-14(10-12)29-18-15(3-2-7-26-18)16(27-29)17(25)30/h2,4,6,14,17-18,34H,3,5,7-9,12-13,15H2,1H3,(H2,27,32);2*3,5-7,13-14,16,19H,4,8-9,12,15H2,1-2H3,(H2,26,32);2-4,11,17,31H,6,8-10,12-14H2,1H3,(H2,24,29);3-8,13H,11-12H2,1-2H3,(H2,24,28);2-6,11-12,27,30H,9-10,13H2,1H3,(H2,23,28);2-3,7,9-11,32H,6,8H2,1H3,(H2,25,30)/t18-,26+;19-,25+;19-,25-;23-;2*22-;20-/m1010100/s1
InChIKeyBMQJNXNIGIMTEE-RMFYVWTQSA-N
XLogP11.05
TPSA747.76 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds21
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003035.75
LogP ≤ 511.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 157396619) is 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide is CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c(Cl)cccc43)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4n3cccn3)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@H]4n3cccn3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cc(-n3nc(C(N)=O)c4cccnc43)cc(C(F)(F)F)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4CC(=O)C3CC3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(C3COC3)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(CO)ccc43)c2)C1=O.
What is the InChIKey of 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is BMQJNXNIGIMTEE-RMFYVWTQSA-N. The full InChI is InChI=1S/C26H28N4O4.2C25H26N6O2.C23H25N5O4.C22H19ClN4O2.C22H20N4O4.C21H16F3N5O3/c1-29-13-12-26(34,25(29)33)11-10-16-4-2-6-19(14-16)30-20-7-3-5-18(15-21(31)17-8-9-17)22(20)23(28-30)24(27)32;2*1-25(12-15-29(2)24(25)33)11-10-17-6-3-7-18(16-17)31-20-9-4-8-19(30-14-5-13-27-30)21(20)22(28-31)23(26)32;1-26-10-8-23(31,22(26)30)7-5-15-3-2-4-16(11-15)28-19-6-9-27(17-13-32-14-17)12-18(19)20(25-28)21(24)29;1-22(11-12-26(2)21(22)29)10-9-14-5-3-6-15(13-14)27-17-8-4-7-16(23)18(17)19(25-27)20(24)28;1-25-10-9-22(30,21(25)29)8-7-14-3-2-4-16(11-14)26-18-6-5-15(13-27)12-17(18)19(24-26)20(23)28;1-28-8-6-20(32,19(28)31)5-4-12-9-13(21(22,23)24)11-14(10-12)29-18-15(3-2-7-26-18)16(27-29)17(25)30/h2,4,6,14,17-18,34H,3,5,7-9,12-13,15H2,1H3,(H2,27,32);2*3,5-7,13-14,16,19H,4,8-9,12,15H2,1-2H3,(H2,26,32);2-4,11,17,31H,6,8-10,12-14H2,1H3,(H2,24,29);3-8,13H,11-12H2,1-2H3,(H2,24,28);2-6,11-12,27,30H,9-10,13H2,1H3,(H2,23,28);2-3,7,9-11,32H,6,8H2,1H3,(H2,25,30)/t18-,26+;19-,25+;19-,25-;23-;2*22-;20-/m1010100/s1.
What are the key properties of 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 3035.75 g/mol, XLogP of 11.05, 21 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-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-(oxetan-3-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]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 157396619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).