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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide

C235H250Cl8F8N50O34 — CID 157166216

IUPAC1-[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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESC=Cc1cccc(CC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.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.CCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@@H](C)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)C2CCCCC2)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/C25H27ClFN5O3.3C24H25ClFN5O4.C23H25ClFN5O4.3C23H25ClFN5O3.C23H25N5O3.C23H23N5O3/c26-19-11-6-7-16(23(19)27)13-29-21(33)14-31(17-8-2-1-3-9-17)22(34)15-32-20-12-5-4-10-18(20)24(30-32)25(28)35;3*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;2*1-3-14(2)29(12-19(31)27-11-15-7-6-9-17(24)21(15)25)20(32)13-30-18-10-5-4-8-16(18)22(28-30)23(26)33;2*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/h4-7,10-12,17H,1-3,8-9,13-15H2,(H2,28,35)(H,29,33);3*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);2*4-10,14H,3,11-13H2,1-2H3,(H2,26,33)(H,27,31);3-9,17H,2,10-14H2,1H3,(H2,24,31);2-9,17H,1,10-14H2,(H2,24,31)/t;2*18-,19-;;;;14-;;;/m.10...1.../s1
InChIKeyAMYDMYCAVKINIW-VZMBVECJSA-N
MW4754.51 g/mol
LogP23.69
Rot. Bonds85

About 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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide

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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 157166216) has the molecular formula C235H250Cl8F8N50O34 and a molecular weight of 4754.51 g/mol. Its IUPAC name is 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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]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-[[(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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID157166216
Molecular FormulaC235H250Cl8F8N50O34
Molecular Weight4754.51 g/mol
Exact Mass4747.68
IUPAC Name1-[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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESC=Cc1cccc(CC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.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.CCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@@H](C)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)C2CCCCC2)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/C25H27ClFN5O3.3C24H25ClFN5O4.C23H25ClFN5O4.3C23H25ClFN5O3.C23H25N5O3.C23H23N5O3/c26-19-11-6-7-16(23(19)27)13-29-21(33)14-31(17-8-2-1-3-9-17)22(34)15-32-20-12-5-4-10-18(20)24(30-32)25(28)35;3*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;2*1-3-14(2)29(12-19(31)27-11-15-7-6-9-17(24)21(15)25)20(32)13-30-18-10-5-4-8-16(18)22(28-30)23(26)33;2*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/h4-7,10-12,17H,1-3,8-9,13-15H2,(H2,28,35)(H,29,33);3*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);2*4-10,14H,3,11-13H2,1-2H3,(H2,26,33)(H,27,31);3-9,17H,2,10-14H2,1H3,(H2,24,31);2-9,17H,1,10-14H2,(H2,24,31)/t;2*18-,19-;;;;14-;;;/m.10...1.../s1
InChIKeyAMYDMYCAVKINIW-VZMBVECJSA-N
XLogP23.69
TPSA1185.84 Ų
H-Bond Donors22
H-Bond Acceptors56
Rotatable Bonds85
Heavy Atoms335
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004754.51
LogP ≤ 523.69
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1056

Analyze 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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]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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Frequently Asked Questions

What is the IUPAC name of 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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]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-[[(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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 157166216) is 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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]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-[[(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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]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-[[(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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide is C=Cc1cccc(CC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.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.CCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@@H](C)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)C2CCCCC2)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-[[(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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]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 AMYDMYCAVKINIW-VZMBVECJSA-N. The full InChI is InChI=1S/C25H27ClFN5O3.3C24H25ClFN5O4.C23H25ClFN5O4.3C23H25ClFN5O3.C23H25N5O3.C23H23N5O3/c26-19-11-6-7-16(23(19)27)13-29-21(33)14-31(17-8-2-1-3-9-17)22(34)15-32-20-12-5-4-10-18(20)24(30-32)25(28)35;3*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;2*1-3-14(2)29(12-19(31)27-11-15-7-6-9-17(24)21(15)25)20(32)13-30-18-10-5-4-8-16(18)22(28-30)23(26)33;2*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/h4-7,10-12,17H,1-3,8-9,13-15H2,(H2,28,35)(H,29,33);3*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);2*4-10,14H,3,11-13H2,1-2H3,(H2,26,33)(H,27,31);3-9,17H,2,10-14H2,1H3,(H2,24,31);2-9,17H,1,10-14H2,(H2,24,31)/t;2*18-,19-;;;;14-;;;/m.10...1.../s1.
What are the key properties of 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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[3-(6-ethyl-2-pyridinyl)-2-oxopropyl]amino]-2-oxoethyl]indazole-3-carboxamide?
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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]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 4754.51 g/mol, XLogP of 23.69, 85 rotatable bonds, 22 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[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]-(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-ethenyl-2-pyridinyl)-2-oxopropyl]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 157166216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).