2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

C169H187Cl6F10N35O24 — CID 161226870

IUPAC2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N3CCCC3=O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)N(C)C3CCN(C)CC3)cc12.CC(O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H]1CCCN(C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ncc(NC(=O)N3CCCC(F)(F)C3)cc12
InChIInChI=1S/C32H40ClFN6O4.C30H34ClFN6O4.C29H32ClF3N6O4.C28H28ClFN4O4.C27H28ClF3N8O4.C23H25ClFN5O4/c1-20(2)39(18-28(42)35-17-23-7-6-8-26(33)31(23)34)30(44)19-40-27-10-9-22(15-25(27)32(36-40)21(3)41)16-29(43)38(5)24-11-13-37(4)14-12-24;1-18-4-3-11-36(15-18)26(40)13-19-7-10-24-22(12-19)29(30(33)42)35-38(24)17-27(41)37(21-8-9-21)16-25(39)34-14-20-5-2-6-23(31)28(20)32;1-17(40)27-21-12-19(35-28(43)37-11-3-10-29(32,33)16-37)6-9-23(21)39(36-27)15-25(42)38(20-7-8-20)14-24(41)34-13-18-4-2-5-22(30)26(18)31;1-17(35)22-14-32(24-10-9-20(12-21(22)24)33-11-3-6-26(33)37)16-27(38)34(19-7-8-19)15-25(36)31-13-18-4-2-5-23(29)28(18)30;28-19-4-1-3-15(22(19)29)10-33-20(40)12-38(17-5-6-17)21(41)13-39-25-18(23(36-39)24(32)42)9-16(11-34-25)35-26(43)37-8-2-7-27(30,31)14-37;1-2-15(13-31)29(11-19(32)27-10-14-6-5-8-17(24)21(14)25)20(33)12-30-18-9-4-3-7-16(18)22(28-30)23(26)34/h6-10,15,20,24H,11-14,16-19H2,1-5H3,(H,35,42);2,5-7,10,12,18,21H,3-4,8-9,11,13-17H2,1H3,(H2,33,42)(H,34,39);2,4-6,9,12,17,20,40H,3,7-8,10-11,13-16H2,1H3,(H,34,41)(H,35,43);2,4-5,9-10,12,14,19H,3,6-8,11,13,15-16H2,1H3,(H,31,36);1,3-4,9,11,17H,2,5-8,10,12-14H2,(H2,32,42)(H,33,40)(H,35,43);3-9,15,31H,2,10-13H2,1H3,(H2,26,34)(H,27,32)/t;18-;;;;15-/m.0...1/s1
InChIKeyUYFYGADKDOVYEY-FKDOYHPGSA-N
MW3495.27 g/mol
LogP19.98
Rot. Bonds58

About 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 161226870) has the molecular formula C169H187Cl6F10N35O24 and a molecular weight of 3495.27 g/mol. Its IUPAC name is 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID161226870
Molecular FormulaC169H187Cl6F10N35O24
Molecular Weight3495.27 g/mol
Exact Mass3490.25
IUPAC Name2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N3CCCC3=O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)N(C)C3CCN(C)CC3)cc12.CC(O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H]1CCCN(C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ncc(NC(=O)N3CCCC(F)(F)C3)cc12
InChIInChI=1S/C32H40ClFN6O4.C30H34ClFN6O4.C29H32ClF3N6O4.C28H28ClFN4O4.C27H28ClF3N8O4.C23H25ClFN5O4/c1-20(2)39(18-28(42)35-17-23-7-6-8-26(33)31(23)34)30(44)19-40-27-10-9-22(15-25(27)32(36-40)21(3)41)16-29(43)38(5)24-11-13-37(4)14-12-24;1-18-4-3-11-36(15-18)26(40)13-19-7-10-24-22(12-19)29(30(33)42)35-38(24)17-27(41)37(21-8-9-21)16-25(39)34-14-20-5-2-6-23(31)28(20)32;1-17(40)27-21-12-19(35-28(43)37-11-3-10-29(32,33)16-37)6-9-23(21)39(36-27)15-25(42)38(20-7-8-20)14-24(41)34-13-18-4-2-5-22(30)26(18)31;1-17(35)22-14-32(24-10-9-20(12-21(22)24)33-11-3-6-26(33)37)16-27(38)34(19-7-8-19)15-25(36)31-13-18-4-2-5-23(29)28(18)30;28-19-4-1-3-15(22(19)29)10-33-20(40)12-38(17-5-6-17)21(41)13-39-25-18(23(36-39)24(32)42)9-16(11-34-25)35-26(43)37-8-2-7-27(30,31)14-37;1-2-15(13-31)29(11-19(32)27-10-14-6-5-8-17(24)21(14)25)20(33)12-30-18-9-4-3-7-16(18)22(28-30)23(26)34/h6-10,15,20,24H,11-14,16-19H2,1-5H3,(H,35,42);2,5-7,10,12,18,21H,3-4,8-9,11,13-17H2,1H3,(H2,33,42)(H,34,39);2,4-6,9,12,17,20,40H,3,7-8,10-11,13-16H2,1H3,(H,34,41)(H,35,43);2,4-5,9-10,12,14,19H,3,6-8,11,13,15-16H2,1H3,(H,31,36);1,3-4,9,11,17H,2,5-8,10,12-14H2,(H2,32,42)(H,33,40)(H,35,43);3-9,15,31H,2,10-13H2,1H3,(H2,26,34)(H,27,32)/t;18-;;;;15-/m.0...1/s1
InChIKeyUYFYGADKDOVYEY-FKDOYHPGSA-N
XLogP19.98
TPSA736.10 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds58
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003495.27
LogP ≤ 519.98
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Analyze 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 161226870) is 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N3CCCC3=O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)N(C)C3CCN(C)CC3)cc12.CC(O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H]1CCCN(C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ncc(NC(=O)N3CCCC(F)(F)C3)cc12.
What is the InChIKey of 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is UYFYGADKDOVYEY-FKDOYHPGSA-N. The full InChI is InChI=1S/C32H40ClFN6O4.C30H34ClFN6O4.C29H32ClF3N6O4.C28H28ClFN4O4.C27H28ClF3N8O4.C23H25ClFN5O4/c1-20(2)39(18-28(42)35-17-23-7-6-8-26(33)31(23)34)30(44)19-40-27-10-9-22(15-25(27)32(36-40)21(3)41)16-29(43)38(5)24-11-13-37(4)14-12-24;1-18-4-3-11-36(15-18)26(40)13-19-7-10-24-22(12-19)29(30(33)42)35-38(24)17-27(41)37(21-8-9-21)16-25(39)34-14-20-5-2-6-23(31)28(20)32;1-17(40)27-21-12-19(35-28(43)37-11-3-10-29(32,33)16-37)6-9-23(21)39(36-27)15-25(42)38(20-7-8-20)14-24(41)34-13-18-4-2-5-22(30)26(18)31;1-17(35)22-14-32(24-10-9-20(12-21(22)24)33-11-3-6-26(33)37)16-27(38)34(19-7-8-19)15-25(36)31-13-18-4-2-5-23(29)28(18)30;28-19-4-1-3-15(22(19)29)10-33-20(40)12-38(17-5-6-17)21(41)13-39-25-18(23(36-39)24(32)42)9-16(11-34-25)35-26(43)37-8-2-7-27(30,31)14-37;1-2-15(13-31)29(11-19(32)27-10-14-6-5-8-17(24)21(14)25)20(33)12-30-18-9-4-3-7-16(18)22(28-30)23(26)34/h6-10,15,20,24H,11-14,16-19H2,1-5H3,(H,35,42);2,5-7,10,12,18,21H,3-4,8-9,11,13-17H2,1H3,(H2,33,42)(H,34,39);2,4-6,9,12,17,20,40H,3,7-8,10-11,13-16H2,1H3,(H,34,41)(H,35,43);2,4-5,9-10,12,14,19H,3,6-8,11,13,15-16H2,1H3,(H,31,36);1,3-4,9,11,17H,2,5-8,10,12-14H2,(H2,32,42)(H,33,40)(H,35,43);3-9,15,31H,2,10-13H2,1H3,(H2,26,34)(H,27,32)/t;18-;;;;15-/m.0...1/s1.
What are the key properties of 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 3495.27 g/mol, XLogP of 19.98, 58 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 161226870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).