2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol

C142H159ClF3N31O13 — CID 159952528

IUPAC2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol
SMILESCC(C)c1[nH]nc2cc(O)c(-c3c[nH]c(=O)n3Cc3ccc(N(C)C)cc3)cc12.CC(C)c1[nH]nc2cc(O)c(-c3n[nH]c(CCc4cccnc4)c3-c3ccc(N4CCOCC4)cc3)cc12.CCCN(C)c1ccc(-n2c(C(=O)NCCN(C)C)cnc2-c2cc3c(Cc4cccc(Cl)c4)[nH]nc3cc2O)cc1.CN(C)c1ccc(-c2c(C(=O)NCC(F)(F)F)noc2-c2cc3c(CC4CCCC4)[nH]nc3cc2O)cn1.CN1CCN(c2ccc(-c3c(C(=O)NCCN4CCOCC4)noc3-c3cc4c(C5CCC5)[nH]nc4cc3O)cc2)CC1
InChIInChI=1S/C32H36ClN7O2.C32H39N7O4.C30H32N6O2.C26H27F3N6O3.C22H25N5O2/c1-5-14-39(4)23-9-11-24(12-10-23)40-29(32(42)34-13-15-38(2)3)20-35-31(40)26-18-25-27(36-37-28(25)19-30(26)41)17-21-7-6-8-22(33)16-21;1-37-11-13-39(14-12-37)23-7-5-21(6-8-23)28-30(32(41)33-9-10-38-15-17-42-18-16-38)36-43-31(28)25-19-24-26(20-27(25)40)34-35-29(24)22-3-2-4-22;1-19(2)29-23-16-24(27(37)17-26(23)33-34-29)30-28(25(32-35-30)10-5-20-4-3-11-31-18-20)21-6-8-22(9-7-21)36-12-14-38-15-13-36;1-35(2)21-8-7-15(12-30-21)22-23(25(37)31-13-26(27,28)29)34-38-24(22)17-10-16-18(9-14-5-3-4-6-14)32-33-19(16)11-20(17)36;1-13(2)21-16-9-17(20(28)10-18(16)24-25-21)19-11-23-22(29)27(19)12-14-5-7-15(8-6-14)26(3)4/h6-12,16,18-20,41H,5,13-15,17H2,1-4H3,(H,34,42)(H,36,37);5-8,19-20,22,40H,2-4,9-18H2,1H3,(H,33,41)(H,34,35);3-4,6-9,11,16-19,37H,5,10,12-15H2,1-2H3,(H,32,35)(H,33,34);7-8,10-12,14,36H,3-6,9,13H2,1-2H3,(H,31,37)(H,32,33);5-11,13,28H,12H2,1-4H3,(H,23,29)(H,24,25)
InChIKeyOCHKXRAHTNZKRB-UHFFFAOYSA-N
MW2600.48 g/mol
LogP23.38
Rot. Bonds38

About 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol

2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol (PubChem CID 159952528) has the molecular formula C142H159ClF3N31O13 and a molecular weight of 2600.48 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol
PubChem CID159952528
Molecular FormulaC142H159ClF3N31O13
Molecular Weight2600.48 g/mol
Exact Mass2598.24
IUPAC Name2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol
SMILESCC(C)c1[nH]nc2cc(O)c(-c3c[nH]c(=O)n3Cc3ccc(N(C)C)cc3)cc12.CC(C)c1[nH]nc2cc(O)c(-c3n[nH]c(CCc4cccnc4)c3-c3ccc(N4CCOCC4)cc3)cc12.CCCN(C)c1ccc(-n2c(C(=O)NCCN(C)C)cnc2-c2cc3c(Cc4cccc(Cl)c4)[nH]nc3cc2O)cc1.CN(C)c1ccc(-c2c(C(=O)NCC(F)(F)F)noc2-c2cc3c(CC4CCCC4)[nH]nc3cc2O)cn1.CN1CCN(c2ccc(-c3c(C(=O)NCCN4CCOCC4)noc3-c3cc4c(C5CCC5)[nH]nc4cc3O)cc2)CC1
InChIInChI=1S/C32H36ClN7O2.C32H39N7O4.C30H32N6O2.C26H27F3N6O3.C22H25N5O2/c1-5-14-39(4)23-9-11-24(12-10-23)40-29(32(42)34-13-15-38(2)3)20-35-31(40)26-18-25-27(36-37-28(25)19-30(26)41)17-21-7-6-8-22(33)16-21;1-37-11-13-39(14-12-37)23-7-5-21(6-8-23)28-30(32(41)33-9-10-38-15-17-42-18-16-38)36-43-31(28)25-19-24-26(20-27(25)40)34-35-29(24)22-3-2-4-22;1-19(2)29-23-16-24(27(37)17-26(23)33-34-29)30-28(25(32-35-30)10-5-20-4-3-11-31-18-20)21-6-8-22(9-7-21)36-12-14-38-15-13-36;1-35(2)21-8-7-15(12-30-21)22-23(25(37)31-13-26(27,28)29)34-38-24(22)17-10-16-18(9-14-5-3-4-6-14)32-33-19(16)11-20(17)36;1-13(2)21-16-9-17(20(28)10-18(16)24-25-21)19-11-23-22(29)27(19)12-14-5-7-15(8-6-14)26(3)4/h6-12,16,18-20,41H,5,13-15,17H2,1-4H3,(H,34,42)(H,36,37);5-8,19-20,22,40H,2-4,9-18H2,1H3,(H,33,41)(H,34,35);3-4,6-9,11,16-19,37H,5,10,12-15H2,1-2H3,(H,32,35)(H,33,34);7-8,10-12,14,36H,3-6,9,13H2,1-2H3,(H,31,37)(H,32,33);5-11,13,28H,12H2,1-4H3,(H,23,29)(H,24,25)
InChIKeyOCHKXRAHTNZKRB-UHFFFAOYSA-N
XLogP23.38
TPSA538.36 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002600.48
LogP ≤ 523.38
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol with MolForge

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Launch Full Analysis

Related Compounds

3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 159340221
(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 160330006

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol?
The IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol (CID 159952528) is 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol is CC(C)c1[nH]nc2cc(O)c(-c3c[nH]c(=O)n3Cc3ccc(N(C)C)cc3)cc12.CC(C)c1[nH]nc2cc(O)c(-c3n[nH]c(CCc4cccnc4)c3-c3ccc(N4CCOCC4)cc3)cc12.CCCN(C)c1ccc(-n2c(C(=O)NCCN(C)C)cnc2-c2cc3c(Cc4cccc(Cl)c4)[nH]nc3cc2O)cc1.CN(C)c1ccc(-c2c(C(=O)NCC(F)(F)F)noc2-c2cc3c(CC4CCCC4)[nH]nc3cc2O)cn1.CN1CCN(c2ccc(-c3c(C(=O)NCCN4CCOCC4)noc3-c3cc4c(C5CCC5)[nH]nc4cc3O)cc2)CC1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol?
The InChIKey is OCHKXRAHTNZKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN7O2.C32H39N7O4.C30H32N6O2.C26H27F3N6O3.C22H25N5O2/c1-5-14-39(4)23-9-11-24(12-10-23)40-29(32(42)34-13-15-38(2)3)20-35-31(40)26-18-25-27(36-37-28(25)19-30(26)41)17-21-7-6-8-22(33)16-21;1-37-11-13-39(14-12-37)23-7-5-21(6-8-23)28-30(32(41)33-9-10-38-15-17-42-18-16-38)36-43-31(28)25-19-24-26(20-27(25)40)34-35-29(24)22-3-2-4-22;1-19(2)29-23-16-24(27(37)17-26(23)33-34-29)30-28(25(32-35-30)10-5-20-4-3-11-31-18-20)21-6-8-22(9-7-21)36-12-14-38-15-13-36;1-35(2)21-8-7-15(12-30-21)22-23(25(37)31-13-26(27,28)29)34-38-24(22)17-10-16-18(9-14-5-3-4-6-14)32-33-19(16)11-20(17)36;1-13(2)21-16-9-17(20(28)10-18(16)24-25-21)19-11-23-22(29)27(19)12-14-5-7-15(8-6-14)26(3)4/h6-12,16,18-20,41H,5,13-15,17H2,1-4H3,(H,34,42)(H,36,37);5-8,19-20,22,40H,2-4,9-18H2,1H3,(H,33,41)(H,34,35);3-4,6-9,11,16-19,37H,5,10,12-15H2,1-2H3,(H,32,35)(H,33,34);7-8,10-12,14,36H,3-6,9,13H2,1-2H3,(H,31,37)(H,32,33);5-11,13,28H,12H2,1-4H3,(H,23,29)(H,24,25).
What are the key properties of 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol?
2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol has a molecular weight of 2600.48 g/mol, XLogP of 23.38, 38 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methyl]-6-hydroxy-2H-indazol-5-yl]-N-[2-(dimethylamino)ethyl]-3-[4-[methyl(propyl)amino]phenyl]imidazole-4-carboxamide;5-(3-cyclobutyl-6-hydroxy-2H-indazol-5-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide;5-[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-4-[6-(dimethylamino)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;3-[[4-(dimethylamino)phenyl]methyl]-4-(6-hydroxy-3-propan-2-yl-2H-indazol-5-yl)-1H-imidazol-2-one;5-[4-(4-morpholin-4-ylphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]-3-propan-2-yl-2H-indazol-6-ol is sourced from PubChem (CID 159952528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).