2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide

C154H151Cl5F5N31O20 — CID 157377259

IUPAC2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(Nc3cccnc3)cc12.CC(C)(C)OC(=O)Nc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.COCCN1CCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(C(=O)CCc3ccccc3)ccc12
InChIInChI=1S/2C33H28ClFN6O3.C31H29ClFN5O4.C30H36ClFN8O5.C27H30ClFN6O5/c1-20(42)33-26-16-21(37-22-6-5-15-36-17-22)11-14-29(26)41(39-33)19-31(44)40(23-12-13-23)18-30(43)38-28-10-4-8-25(32(28)35)24-7-2-3-9-27(24)34;1-20(42)27-16-40(30-12-9-21(13-26(27)30)38-22-14-36-19-37-15-22)18-32(44)41(23-10-11-23)17-31(43)39-29-8-4-6-25(33(29)35)24-5-2-3-7-28(24)34;32-24-8-4-7-21(29(24)33)16-35-27(40)17-37(22-11-12-22)28(41)18-38-25-15-20(10-13-23(25)30(36-38)31(34)42)26(39)14-9-19-5-2-1-3-6-19;1-45-14-13-37-9-11-38(12-10-37)30(44)35-20-5-8-24-22(15-20)28(29(33)43)36-40(24)18-26(42)39(21-6-7-21)17-25(41)34-16-19-3-2-4-23(31)27(19)32;1-27(2,3)40-26(39)32-16-7-10-18-20(11-16)35(33-24(18)25(30)38)14-22(37)34(17-8-9-17)13-21(36)31-12-15-5-4-6-19(28)23(15)29/h2-11,14-17,23,37H,12-13,18-19H2,1H3,(H,38,43);2-9,12-16,19,23,38H,10-11,17-18H2,1H3,(H,39,43);1-8,10,13,15,22H,9,11-12,14,16-18H2,(H2,34,42)(H,35,40);2-5,8,15,21H,6-7,9-14,16-18H2,1H3,(H2,33,43)(H,34,41)(H,35,44);4-7,10-11,17H,8-9,12-14H2,1-3H3,(H2,30,38)(H,31,36)(H,32,39)
InChIKeyBKLQOKDIMMTVLS-UHFFFAOYSA-N
MW3028.35 g/mol
LogP22.60
Rot. Bonds53

About 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide

2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide (PubChem CID 157377259) has the molecular formula C154H151Cl5F5N31O20 and a molecular weight of 3028.35 g/mol. Its IUPAC name is 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide
PubChem CID157377259
Molecular FormulaC154H151Cl5F5N31O20
Molecular Weight3028.35 g/mol
Exact Mass3024.01
IUPAC Name2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(Nc3cccnc3)cc12.CC(C)(C)OC(=O)Nc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.COCCN1CCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(C(=O)CCc3ccccc3)ccc12
InChIInChI=1S/2C33H28ClFN6O3.C31H29ClFN5O4.C30H36ClFN8O5.C27H30ClFN6O5/c1-20(42)33-26-16-21(37-22-6-5-15-36-17-22)11-14-29(26)41(39-33)19-31(44)40(23-12-13-23)18-30(43)38-28-10-4-8-25(32(28)35)24-7-2-3-9-27(24)34;1-20(42)27-16-40(30-12-9-21(13-26(27)30)38-22-14-36-19-37-15-22)18-32(44)41(23-10-11-23)17-31(43)39-29-8-4-6-25(33(29)35)24-5-2-3-7-28(24)34;32-24-8-4-7-21(29(24)33)16-35-27(40)17-37(22-11-12-22)28(41)18-38-25-15-20(10-13-23(25)30(36-38)31(34)42)26(39)14-9-19-5-2-1-3-6-19;1-45-14-13-37-9-11-38(12-10-37)30(44)35-20-5-8-24-22(15-20)28(29(33)43)36-40(24)18-26(42)39(21-6-7-21)17-25(41)34-16-19-3-2-4-23(31)27(19)32;1-27(2,3)40-26(39)32-16-7-10-18-20(11-16)35(33-24(18)25(30)38)14-22(37)34(17-8-9-17)13-21(36)31-12-15-5-4-6-19(28)23(15)29/h2-11,14-17,23,37H,12-13,18-19H2,1H3,(H,38,43);2-9,12-16,19,23,38H,10-11,17-18H2,1H3,(H,39,43);1-8,10,13,15,22H,9,11-12,14,16-18H2,(H2,34,42)(H,35,40);2-5,8,15,21H,6-7,9-14,16-18H2,1H3,(H2,33,43)(H,34,41)(H,35,44);4-7,10-11,17H,8-9,12-14H2,1-3H3,(H2,30,38)(H,31,36)(H,32,39)
InChIKeyBKLQOKDIMMTVLS-UHFFFAOYSA-N
XLogP22.60
TPSA649.61 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds53
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003028.35
LogP ≤ 522.60
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide with MolForge

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Related Compounds

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[3-[[(3S)-4-(benzylamino)-3-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanoyl]amino]-4-oxobutyl]amino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 155543815
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
2-[3-acetyl-5-(pyrimidin-5-ylamino)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-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-pentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4,4-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide
CID 157952827
carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium
CID 158042345
CID 158163247
CID 158163247
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-2-aminoacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
CID 158235256
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
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]piperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(cyclohexylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-2-ylcarbamoylamino)indazole-3-carboxamide
CID 159421950
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-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]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[4-(methylamino)cyclohexyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 159910181
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-5-carbonyl azide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;carbon dioxide;3,3-difluoropiperidine;methane;hydrochloride
CID 159917796
N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[3-(1-methylpiperidin-4-yl)-2-oxopropyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 159940842
2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-propan-2-ylamino]acetic acid;tert-butyl 2-[[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;3-chloro-2-fluoroaniline;methane;2,2,2-trifluoroacetaldehyde
CID 160047832

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide?
The IUPAC name of 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide (CID 157377259) is 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide.
What is the SMILES notation for 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide?
The canonical SMILES for 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(Nc3cccnc3)cc12.CC(C)(C)OC(=O)Nc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.COCCN1CCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(C(=O)CCc3ccccc3)ccc12.
What is the InChIKey of 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide?
The InChIKey is BKLQOKDIMMTVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H28ClFN6O3.C31H29ClFN5O4.C30H36ClFN8O5.C27H30ClFN6O5/c1-20(42)33-26-16-21(37-22-6-5-15-36-17-22)11-14-29(26)41(39-33)19-31(44)40(23-12-13-23)18-30(43)38-28-10-4-8-25(32(28)35)24-7-2-3-9-27(24)34;1-20(42)27-16-40(30-12-9-21(13-26(27)30)38-22-14-36-19-37-15-22)18-32(44)41(23-10-11-23)17-31(43)39-29-8-4-6-25(33(29)35)24-5-2-3-7-28(24)34;32-24-8-4-7-21(29(24)33)16-35-27(40)17-37(22-11-12-22)28(41)18-38-25-15-20(10-13-23(25)30(36-38)31(34)42)26(39)14-9-19-5-2-1-3-6-19;1-45-14-13-37-9-11-38(12-10-37)30(44)35-20-5-8-24-22(15-20)28(29(33)43)36-40(24)18-26(42)39(21-6-7-21)17-25(41)34-16-19-3-2-4-23(31)27(19)32;1-27(2,3)40-26(39)32-16-7-10-18-20(11-16)35(33-24(18)25(30)38)14-22(37)34(17-8-9-17)13-21(36)31-12-15-5-4-6-19(28)23(15)29/h2-11,14-17,23,37H,12-13,18-19H2,1H3,(H,38,43);2-9,12-16,19,23,38H,10-11,17-18H2,1H3,(H,39,43);1-8,10,13,15,22H,9,11-12,14,16-18H2,(H2,34,42)(H,35,40);2-5,8,15,21H,6-7,9-14,16-18H2,1H3,(H2,33,43)(H,34,41)(H,35,44);4-7,10-11,17H,8-9,12-14H2,1-3H3,(H2,30,38)(H,31,36)(H,32,39).
What are the key properties of 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide?
2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide has a molecular weight of 3028.35 g/mol, XLogP of 22.60, 53 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-(2-methoxyethyl)piperazine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3-phenylpropanoyl)indazole-3-carboxamide is sourced from PubChem (CID 157377259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).