1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide

C141H150Cl5F5N30O22 — CID 158876299

IUPAC1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCc1cccc(CC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2O)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@@H]2CCC[C@H]2O)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H]2CCC[C@@H]2O)c2ccccc12
InChIInChI=1S/3C24H25ClFN5O4.C23H25ClFN5O4.C23H25ClFN5O3.C23H25N5O3/c3*25-16-7-3-5-14(22(16)26)11-28-20(33)12-30(18-9-4-10-19(18)32)21(34)13-31-17-8-2-1-6-15(17)23(29-31)24(27)35;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;1-23(2,3)29(12-18(31)27-11-14-7-6-9-16(24)20(14)25)19(32)13-30-17-10-5-4-8-15(17)21(28-30)22(26)33;1-2-15-6-5-7-16(25-15)12-18(29)13-27(17-10-11-17)21(30)14-28-20-9-4-3-8-19(20)22(26-28)23(24)31/h3*1-3,5-8,18-19,32H,4,9-13H2,(H2,27,35)(H,28,33);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10H,11-13H2,1-3H3,(H2,26,33)(H,27,31);3-9,17H,2,10-14H2,1H3,(H2,24,31)/t2*18-,19-;;;;/m10..../s1
InChIKeyJCLZFEGDAZWCFQ-ZOEOYCOWSA-N
MW2889.19 g/mol
LogP12.57
Rot. Bonds50

About 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 158876299) has the molecular formula C141H150Cl5F5N30O22 and a molecular weight of 2889.19 g/mol. Its IUPAC name is 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID158876299
Molecular FormulaC141H150Cl5F5N30O22
Molecular Weight2889.19 g/mol
Exact Mass2884.99
IUPAC Name1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCc1cccc(CC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2O)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@@H]2CCC[C@H]2O)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H]2CCC[C@@H]2O)c2ccccc12
InChIInChI=1S/3C24H25ClFN5O4.C23H25ClFN5O4.C23H25ClFN5O3.C23H25N5O3/c3*25-16-7-3-5-14(22(16)26)11-28-20(33)12-30(18-9-4-10-19(18)32)21(34)13-31-17-8-2-1-6-15(17)23(29-31)24(27)35;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;1-23(2,3)29(12-18(31)27-11-14-7-6-9-16(24)20(14)25)19(32)13-30-17-10-5-4-8-15(17)21(28-30)22(26)33;1-2-15-6-5-7-16(25-15)12-18(29)13-27(17-10-11-17)21(30)14-28-20-9-4-3-8-19(20)22(26-28)23(24)31/h3*1-3,5-8,18-19,32H,4,9-13H2,(H2,27,35)(H,28,33);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10H,11-13H2,1-3H3,(H2,26,33)(H,27,31);3-9,17H,2,10-14H2,1H3,(H2,24,31)/t2*18-,19-;;;;/m10..../s1
InChIKeyJCLZFEGDAZWCFQ-ZOEOYCOWSA-N
XLogP12.57
TPSA743.70 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds50
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002889.19
LogP ≤ 512.57
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Related Compounds

1-[2-[[(2R)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxetan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 162178502
CID 157166216
CID 157166216
1-[2-[Tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethenyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 157200661
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-2-cyclopropylacetamide;tert-butyl N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]carbamate;5-(tert-butylcarbamoylamino)-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 157442319
CID 157495833
CID 157495833
1-(1-Aminocyclopentyl)-3-(3-chloro-2-fluorophenyl)propan-1-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;3-(3-chloro-2-fluorophenyl)-1-(1-methylcyclopentyl)propan-1-one;1-[2-[[1-[3-(3-chloro-2-fluorophenyl)propanoyl]cyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-methylcyclopentane-1-carboxylic acid
CID 158662861
dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]acetamide;hydride;methane;oxido formate;trans-(1S,2S)-2-aminocyclopentan-1-ol
CID 158812942
dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;methane;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol
CID 158812943
dipotassium;2-aminocyclopentan-1-ol;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate
CID 158812944
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 158932816
dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1S,2S)-2-aminocyclopentan-1-ol
CID 159192375
dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol
CID 159192376

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 158876299) is 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide is CC(C)(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCc1cccc(CC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2O)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@@H]2CCC[C@H]2O)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H]2CCC[C@@H]2O)c2ccccc12.
What is the InChIKey of 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is JCLZFEGDAZWCFQ-ZOEOYCOWSA-N. The full InChI is InChI=1S/3C24H25ClFN5O4.C23H25ClFN5O4.C23H25ClFN5O3.C23H25N5O3/c3*25-16-7-3-5-14(22(16)26)11-28-20(33)12-30(18-9-4-10-19(18)32)21(34)13-31-17-8-2-1-6-15(17)23(29-31)24(27)35;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;1-23(2,3)29(12-18(31)27-11-14-7-6-9-16(24)20(14)25)19(32)13-30-17-10-5-4-8-15(17)21(28-30)22(26)33;1-2-15-6-5-7-16(25-15)12-18(29)13-27(17-10-11-17)21(30)14-28-20-9-4-3-8-19(20)22(26-28)23(24)31/h3*1-3,5-8,18-19,32H,4,9-13H2,(H2,27,35)(H,28,33);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10H,11-13H2,1-3H3,(H2,26,33)(H,27,31);3-9,17H,2,10-14H2,1H3,(H2,24,31)/t2*18-,19-;;;;/m10..../s1.
What are the key properties of 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 2889.19 g/mol, XLogP of 12.57, 50 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 158876299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).