2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide

C150H157Cl6F8N33O22 — CID 159840368

IUPAC2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)O)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)N3CCCC(F)(F)C3)ccc21.C[C@@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12
InChIInChI=1S/C29H32ClF3N6O4.C29H29ClFN7O3.C23H24ClFN6O3.C23H23ClFN5O5.C23H25ClFN5O4.C23H24ClFN4O3/c1-17(2)38(14-23(40)35-13-19-5-3-6-21(30)26(19)31)25(42)15-39-22-8-7-18(11-20(22)27(36-39)28(34)43)12-24(41)37-10-4-9-29(32,33)16-37;1-17(39)28-22-11-18(20-13-33-29(34-14-20)36(2)3)7-10-24(22)38(35-28)16-26(41)37(21-8-9-21)15-25(40)32-12-19-5-4-6-23(30)27(19)31;24-17-6-3-4-13(21(17)25)10-28-19(32)11-30(15-8-14(26)9-15)20(33)12-31-18-7-2-1-5-16(18)22(29-31)23(27)34;1-12(2)29(10-18(31)27-9-14-4-3-5-16(24)20(14)25)19(32)11-30-17-7-6-13(23(34)35)8-15(17)21(28-30)22(26)33;1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-14(2)28(12-20(31)26-11-16-7-6-9-18(24)22(16)25)21(32)13-29-19-10-5-4-8-17(19)23(27-29)15(3)30/h3,5-8,11,17H,4,9-10,12-16H2,1-2H3,(H2,34,43)(H,35,40);4-7,10-11,13-14,21H,8-9,12,15-16H2,1-3H3,(H,32,40);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);3-8,12H,9-11H2,1-2H3,(H2,26,33)(H,27,31)(H,34,35);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,14H,11-13H2,1-3H3,(H,26,31)/t;;;;14-;/m....0./s1
InChIKeyNOPGOAFYDUAIAO-ZSXFNMOFSA-N
MW3138.82 g/mol
LogP16.31
Rot. Bonds55

About 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide

2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide (PubChem CID 159840368) has the molecular formula C150H157Cl6F8N33O22 and a molecular weight of 3138.82 g/mol. Its IUPAC name is 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide
PubChem CID159840368
Molecular FormulaC150H157Cl6F8N33O22
Molecular Weight3138.82 g/mol
Exact Mass3134.02
IUPAC Name2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)O)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)N3CCCC(F)(F)C3)ccc21.C[C@@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12
InChIInChI=1S/C29H32ClF3N6O4.C29H29ClFN7O3.C23H24ClFN6O3.C23H23ClFN5O5.C23H25ClFN5O4.C23H24ClFN4O3/c1-17(2)38(14-23(40)35-13-19-5-3-6-21(30)26(19)31)25(42)15-39-22-8-7-18(11-20(22)27(36-39)28(34)43)12-24(41)37-10-4-9-29(32,33)16-37;1-17(39)28-22-11-18(20-13-33-29(34-14-20)36(2)3)7-10-24(22)38(35-28)16-26(41)37(21-8-9-21)15-25(40)32-12-19-5-4-6-23(30)27(19)31;24-17-6-3-4-13(21(17)25)10-28-19(32)11-30(15-8-14(26)9-15)20(33)12-31-18-7-2-1-5-16(18)22(29-31)23(27)34;1-12(2)29(10-18(31)27-9-14-4-3-5-16(24)20(14)25)19(32)11-30-17-7-6-13(23(34)35)8-15(17)21(28-30)22(26)33;1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-14(2)28(12-20(31)26-11-16-7-6-9-18(24)22(16)25)21(32)13-29-19-10-5-4-8-17(19)23(27-29)15(3)30/h3,5-8,11,17H,4,9-10,12-16H2,1-2H3,(H2,34,43)(H,35,40);4-7,10-11,13-14,21H,8-9,12,15-16H2,1-3H3,(H,32,40);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);3-8,12H,9-11H2,1-2H3,(H2,26,33)(H,27,31)(H,34,35);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,14H,11-13H2,1-3H3,(H,26,31)/t;;;;14-;/m....0./s1
InChIKeyNOPGOAFYDUAIAO-ZSXFNMOFSA-N
XLogP16.31
TPSA742.76 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds55
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003138.82
LogP ≤ 516.31
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Analyze 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide with MolForge

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Related Compounds

3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
CID 157116305
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carbonyl azide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 157358285
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
CID 157559274
CID 157559274
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;(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-(2-hydroxy-2-methylpropyl)-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 157642189
3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(cyclopropylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indole-3,5-dicarboxamide
CID 157788669
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carbonyl azide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 158003584
CID 158163247
CID 158163247
CID 158178038
CID 158178038
3-carbamoyl-1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-isocyanatoindazole-3-carboxamide;3,3-difluoropiperidine;2-methyloxolane
CID 158431435
2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-hydroxycyclobutyl)acetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-hydroxyoxetan-3-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3,3-difluoropiperidine-1-carbonyl)indazole-3-carboxamide
CID 158649728
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carbonyl azide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 158908763

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide (CID 159840368) is 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide is CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)O)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)N3CCCC(F)(F)C3)ccc21.C[C@@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12.
What is the InChIKey of 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is NOPGOAFYDUAIAO-ZSXFNMOFSA-N. The full InChI is InChI=1S/C29H32ClF3N6O4.C29H29ClFN7O3.C23H24ClFN6O3.C23H23ClFN5O5.C23H25ClFN5O4.C23H24ClFN4O3/c1-17(2)38(14-23(40)35-13-19-5-3-6-21(30)26(19)31)25(42)15-39-22-8-7-18(11-20(22)27(36-39)28(34)43)12-24(41)37-10-4-9-29(32,33)16-37;1-17(39)28-22-11-18(20-13-33-29(34-14-20)36(2)3)7-10-24(22)38(35-28)16-26(41)37(21-8-9-21)15-25(40)32-12-19-5-4-6-23(30)27(19)31;24-17-6-3-4-13(21(17)25)10-28-19(32)11-30(15-8-14(26)9-15)20(33)12-31-18-7-2-1-5-16(18)22(29-31)23(27)34;1-12(2)29(10-18(31)27-9-14-4-3-5-16(24)20(14)25)19(32)11-30-17-7-6-13(23(34)35)8-15(17)21(28-30)22(26)33;1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-14(2)28(12-20(31)26-11-16-7-6-9-18(24)22(16)25)21(32)13-29-19-10-5-4-8-17(19)23(27-29)15(3)30/h3,5-8,11,17H,4,9-10,12-16H2,1-2H3,(H2,34,43)(H,35,40);4-7,10-11,13-14,21H,8-9,12,15-16H2,1-3H3,(H,32,40);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);3-8,12H,9-11H2,1-2H3,(H2,26,33)(H,27,31)(H,34,35);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,14H,11-13H2,1-3H3,(H,26,31)/t;;;;14-;/m....0./s1.
What are the key properties of 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide?
2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 3138.82 g/mol, XLogP of 16.31, 55 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 159840368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).