2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide

C114H116Br2Cl2F5N29O17S — CID 161110006

IUPAC2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CS(=O)(=O)c3ccc(F)cc3)cc12.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cncnc3)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCCC3)ccc21
InChIInChI=1S/C32H29ClFN9O4.C30H27ClF2N4O5S.C26H29BrF2N8O4.C26H31BrN8O4/c1-18(2)42(15-27(44)40-25-9-5-7-22(29(25)34)21-6-3-4-8-24(21)33)28(45)16-43-26-11-10-19(12-23(26)30(41-43)31(35)46)38-32(47)39-20-13-36-17-37-14-20;1-18(38)30-24-13-19(17-43(41,42)23-10-6-21(32)7-11-23)5-12-26(24)37(35-30)16-28(40)36(22-8-9-22)15-27(39)34-14-20-3-2-4-25(31)29(20)33;1-15(2)36(12-21(38)33-20-6-3-5-19(27)32-20)22(39)13-37-18-8-7-16(11-17(18)23(34-37)24(30)40)31-25(41)35-10-4-9-26(28,29)14-35;1-16(2)34(14-22(36)31-21-8-6-7-20(27)30-21)23(37)15-35-19-10-9-17(13-18(19)24(32-35)25(28)38)29-26(39)33-11-4-3-5-12-33/h3-14,17-18H,15-16H2,1-2H3,(H2,35,46)(H,40,44)(H2,38,39,47);2-7,10-13,22H,8-9,14-17H2,1H3,(H,34,39);3,5-8,11,15H,4,9-10,12-14H2,1-2H3,(H2,30,40)(H,31,41)(H,32,33,38);6-10,13,16H,3-5,11-12,14-15H2,1-2H3,(H2,28,38)(H,29,39)(H,30,31,36)
InChIKeyUJOJBPUMOSULTP-UHFFFAOYSA-N
MW2522.14 g/mol
LogP15.97
Rot. Bonds37

About 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide

2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide (PubChem CID 161110006) has the molecular formula C114H116Br2Cl2F5N29O17S and a molecular weight of 2522.14 g/mol. Its IUPAC name is 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide
PubChem CID161110006
Molecular FormulaC114H116Br2Cl2F5N29O17S
Molecular Weight2522.14 g/mol
Exact Mass2517.65
IUPAC Name2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CS(=O)(=O)c3ccc(F)cc3)cc12.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cncnc3)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCCC3)ccc21
InChIInChI=1S/C32H29ClFN9O4.C30H27ClF2N4O5S.C26H29BrF2N8O4.C26H31BrN8O4/c1-18(2)42(15-27(44)40-25-9-5-7-22(29(25)34)21-6-3-4-8-24(21)33)28(45)16-43-26-11-10-19(12-23(26)30(41-43)31(35)46)38-32(47)39-20-13-36-17-37-14-20;1-18(38)30-24-13-19(17-43(41,42)23-10-6-21(32)7-11-23)5-12-26(24)37(35-30)16-28(40)36(22-8-9-22)15-27(39)34-14-20-3-2-4-25(31)29(20)33;1-15(2)36(12-21(38)33-20-6-3-5-19(27)32-20)22(39)13-37-18-8-7-16(11-17(18)23(34-37)24(30)40)31-25(41)35-10-4-9-26(28,29)14-35;1-16(2)34(14-22(36)31-21-8-6-7-20(27)30-21)23(37)15-35-19-10-9-17(13-18(19)24(32-35)25(28)38)29-26(39)33-11-4-3-5-12-33/h3-14,17-18H,15-16H2,1-2H3,(H2,35,46)(H,40,44)(H2,38,39,47);2-7,10-13,22H,8-9,14-17H2,1H3,(H,34,39);3,5-8,11,15H,4,9-10,12-14H2,1-2H3,(H2,30,40)(H,31,41)(H,32,33,38);6-10,13,16H,3-5,11-12,14-15H2,1-2H3,(H2,28,38)(H,29,39)(H,30,31,36)
InChIKeyUJOJBPUMOSULTP-UHFFFAOYSA-N
XLogP15.97
TPSA606.77 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds37
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002522.14
LogP ≤ 515.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide?
The IUPAC name of 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide (CID 161110006) is 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide.
What is the SMILES notation for 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide?
The canonical SMILES for 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide is CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CS(=O)(=O)c3ccc(F)cc3)cc12.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cncnc3)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCCC3)ccc21.
What is the InChIKey of 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide?
The InChIKey is UJOJBPUMOSULTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClFN9O4.C30H27ClF2N4O5S.C26H29BrF2N8O4.C26H31BrN8O4/c1-18(2)42(15-27(44)40-25-9-5-7-22(29(25)34)21-6-3-4-8-24(21)33)28(45)16-43-26-11-10-19(12-23(26)30(41-43)31(35)46)38-32(47)39-20-13-36-17-37-14-20;1-18(38)30-24-13-19(17-43(41,42)23-10-6-21(32)7-11-23)5-12-26(24)37(35-30)16-28(40)36(22-8-9-22)15-27(39)34-14-20-3-2-4-25(31)29(20)33;1-15(2)36(12-21(38)33-20-6-3-5-19(27)32-20)22(39)13-37-18-8-7-16(11-17(18)23(34-37)24(30)40)31-25(41)35-10-4-9-26(28,29)14-35;1-16(2)34(14-22(36)31-21-8-6-7-20(27)30-21)23(37)15-35-19-10-9-17(13-18(19)24(32-35)25(28)38)29-26(39)33-11-4-3-5-12-33/h3-14,17-18H,15-16H2,1-2H3,(H2,35,46)(H,40,44)(H2,38,39,47);2-7,10-13,22H,8-9,14-17H2,1H3,(H,34,39);3,5-8,11,15H,4,9-10,12-14H2,1-2H3,(H2,30,40)(H,31,41)(H,32,33,38);6-10,13,16H,3-5,11-12,14-15H2,1-2H3,(H2,28,38)(H,29,39)(H,30,31,36).
What are the key properties of 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide?
2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide has a molecular weight of 2522.14 g/mol, XLogP of 15.97, 37 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-[(4-fluorophenyl)sulfonylmethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide is sourced from PubChem (CID 161110006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).