N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine

C155H155FN54O16 — CID 167629022

IUPACN-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine
SMILESCC(C)NC(=O)CCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)c(F)c1.COc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2)n[nH]1.COc1ccc(-c2nc(Nc3ccc4n[nH]c(C)c4c3)n[nH]2)cc1.NCCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CC1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CCCC1.O=C(O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1
InChIInChI=1S/C22H23N7O2.C21H23N7O3.C21H23N7O2.C20H20FN7O2.C20H19N7O2.C17H17N7O.C17H14N6O3.C17H16N6O/c30-20(24-16-3-1-2-4-16)13-31-18-8-5-14(6-9-18)21-26-22(29-28-21)25-17-7-10-19-15(11-17)12-23-27-19;1-12(2)23-19(29)11-31-15-5-6-16(18(9-15)30-3)20-25-21(28-27-20)24-14-4-7-17-13(8-14)10-22-26-17;1-13(2)23-19(29)9-10-30-17-6-3-14(4-7-17)20-25-21(28-27-20)24-16-5-8-18-15(11-16)12-22-26-18;1-11(2)23-18(29)10-30-14-4-5-15(16(21)8-14)19-25-20(28-27-19)24-13-3-6-17-12(7-13)9-22-26-17;28-18(22-14-3-4-14)11-29-16-6-1-12(2-7-16)19-24-20(27-26-19)23-15-5-8-17-13(9-15)10-21-25-17;18-7-8-25-14-4-1-11(2-5-14)16-21-17(24-23-16)20-13-3-6-15-12(9-13)10-19-22-15;24-15(25)9-26-13-4-1-10(2-5-13)16-20-17(23-22-16)19-12-3-6-14-11(7-12)8-18-21-14;1-10-14-9-12(5-8-15(14)21-20-10)18-17-19-16(22-23-17)11-3-6-13(24-2)7-4-11/h5-12,16H,1-4,13H2,(H,23,27)(H,24,30)(H2,25,26,28,29);4-10,12H,11H2,1-3H3,(H,22,26)(H,23,29)(H2,24,25,27,28);3-8,11-13H,9-10H2,1-2H3,(H,22,26)(H,23,29)(H2,24,25,27,28);3-9,11H,10H2,1-2H3,(H,22,26)(H,23,29)(H2,24,25,27,28);1-2,5-10,14H,3-4,11H2,(H,21,25)(H,22,28)(H2,23,24,26,27);1-6,9-10H,7-8,18H2,(H,19,22)(H2,20,21,23,24);1-8H,9H2,(H,18,21)(H,24,25)(H2,19,20,22,23);3-9H,1-2H3,(H,20,21)(H2,18,19,22,23)
InChIKeyNNEHJKUZGFWBIV-UHFFFAOYSA-N
MW3049.30 g/mol
LogP24.19
Rot. Bonds53

About N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine

N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine (PubChem CID 167629022) has the molecular formula C155H155FN54O16 and a molecular weight of 3049.30 g/mol. Its IUPAC name is N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine.

Molecular Properties

Compound NameN-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine
PubChem CID167629022
Molecular FormulaC155H155FN54O16
Molecular Weight3049.30 g/mol
Exact Mass3047.30
IUPAC NameN-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine
SMILESCC(C)NC(=O)CCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)c(F)c1.COc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2)n[nH]1.COc1ccc(-c2nc(Nc3ccc4n[nH]c(C)c4c3)n[nH]2)cc1.NCCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CC1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CCCC1.O=C(O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1
InChIInChI=1S/C22H23N7O2.C21H23N7O3.C21H23N7O2.C20H20FN7O2.C20H19N7O2.C17H17N7O.C17H14N6O3.C17H16N6O/c30-20(24-16-3-1-2-4-16)13-31-18-8-5-14(6-9-18)21-26-22(29-28-21)25-17-7-10-19-15(11-17)12-23-27-19;1-12(2)23-19(29)11-31-15-5-6-16(18(9-15)30-3)20-25-21(28-27-20)24-14-4-7-17-13(8-14)10-22-26-17;1-13(2)23-19(29)9-10-30-17-6-3-14(4-7-17)20-25-21(28-27-20)24-16-5-8-18-15(11-16)12-22-26-18;1-11(2)23-18(29)10-30-14-4-5-15(16(21)8-14)19-25-20(28-27-19)24-13-3-6-17-12(7-13)9-22-26-17;28-18(22-14-3-4-14)11-29-16-6-1-12(2-7-16)19-24-20(27-26-19)23-15-5-8-17-13(9-15)10-21-25-17;18-7-8-25-14-4-1-11(2-5-14)16-21-17(24-23-16)20-13-3-6-15-12(9-13)10-19-22-15;24-15(25)9-26-13-4-1-10(2-5-13)16-20-17(23-22-16)19-12-3-6-14-11(7-12)8-18-21-14;1-10-14-9-12(5-8-15(14)21-20-10)18-17-19-16(22-23-17)11-3-6-13(24-2)7-4-11/h5-12,16H,1-4,13H2,(H,23,27)(H,24,30)(H2,25,26,28,29);4-10,12H,11H2,1-3H3,(H,22,26)(H,23,29)(H2,24,25,27,28);3-8,11-13H,9-10H2,1-2H3,(H,22,26)(H,23,29)(H2,24,25,27,28);3-9,11H,10H2,1-2H3,(H,22,26)(H,23,29)(H2,24,25,27,28);1-2,5-10,14H,3-4,11H2,(H,21,25)(H,22,28)(H2,23,24,26,27);1-6,9-10H,7-8,18H2,(H,19,22)(H2,20,21,23,24);1-8H,9H2,(H,18,21)(H,24,25)(H2,19,20,22,23);3-9H,1-2H3,(H,20,21)(H2,18,19,22,23)
InChIKeyNNEHJKUZGFWBIV-UHFFFAOYSA-N
XLogP24.19
TPSA950.13 Ų
H-Bond Donors31
H-Bond Acceptors48
Rotatable Bonds53
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003049.30
LogP ≤ 524.19
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1048

Analyze N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365624
2-[4-[5-[[2-[3-[5-(1H-indazol-5-ylamino)-4H-1,2,4-triazol-3-yl]-4-methoxyphenyl]-1H-indazol-2-ium-5-yl]amino]-4H-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 153329055
N-[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-methylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-N-[5-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,4-diamine
CID 167556260
N-(azetidin-3-yl)-2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]acetamide;2-[2-ethyl-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;N-[5-[4-[2-(propan-2-ylamino)ethoxy]phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine
CID 167655887
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methyl-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]-N-propan-2-ylpropanamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 167665755

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine?
The IUPAC name of N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine (CID 167629022) is N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine.
What is the SMILES notation for N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine?
The canonical SMILES for N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine is CC(C)NC(=O)CCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)c(F)c1.COc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2)n[nH]1.COc1ccc(-c2nc(Nc3ccc4n[nH]c(C)c4c3)n[nH]2)cc1.NCCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CC1.O=C(COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1)NC1CCCC1.O=C(O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.
What is the InChIKey of N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine?
The InChIKey is NNEHJKUZGFWBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2.C21H23N7O3.C21H23N7O2.C20H20FN7O2.C20H19N7O2.C17H17N7O.C17H14N6O3.C17H16N6O/c30-20(24-16-3-1-2-4-16)13-31-18-8-5-14(6-9-18)21-26-22(29-28-21)25-17-7-10-19-15(11-17)12-23-27-19;1-12(2)23-19(29)11-31-15-5-6-16(18(9-15)30-3)20-25-21(28-27-20)24-14-4-7-17-13(8-14)10-22-26-17;1-13(2)23-19(29)9-10-30-17-6-3-14(4-7-17)20-25-21(28-27-20)24-16-5-8-18-15(11-16)12-22-26-18;1-11(2)23-18(29)10-30-14-4-5-15(16(21)8-14)19-25-20(28-27-19)24-13-3-6-17-12(7-13)9-22-26-17;28-18(22-14-3-4-14)11-29-16-6-1-12(2-7-16)19-24-20(27-26-19)23-15-5-8-17-13(9-15)10-21-25-17;18-7-8-25-14-4-1-11(2-5-14)16-21-17(24-23-16)20-13-3-6-15-12(9-13)10-19-22-15;24-15(25)9-26-13-4-1-10(2-5-13)16-20-17(23-22-16)19-12-3-6-14-11(7-12)8-18-21-14;1-10-14-9-12(5-8-15(14)21-20-10)18-17-19-16(22-23-17)11-3-6-13(24-2)7-4-11/h5-12,16H,1-4,13H2,(H,23,27)(H,24,30)(H2,25,26,28,29);4-10,12H,11H2,1-3H3,(H,22,26)(H,23,29)(H2,24,25,27,28);3-8,11-13H,9-10H2,1-2H3,(H,22,26)(H,23,29)(H2,24,25,27,28);3-9,11H,10H2,1-2H3,(H,22,26)(H,23,29)(H2,24,25,27,28);1-2,5-10,14H,3-4,11H2,(H,21,25)(H,22,28)(H2,23,24,26,27);1-6,9-10H,7-8,18H2,(H,19,22)(H2,20,21,23,24);1-8H,9H2,(H,18,21)(H,24,25)(H2,19,20,22,23);3-9H,1-2H3,(H,20,21)(H2,18,19,22,23).
What are the key properties of N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine?
N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine has a molecular weight of 3049.30 g/mol, XLogP of 24.19, 53 rotatable bonds, 31 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-aminoethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-5-amine;N-cyclopentyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetamide;2-[3-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid;3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylpropanamide;N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2H-indazol-5-amine is sourced from PubChem (CID 167629022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).