1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide

C89H114F2N14O6 — CID 158871339

IUPAC1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide
SMILESCCCCN(C)Cc1[nH]nc2ccc(OCc3ccc(C(C)(C)C)cc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCc3ccc(C(C)(F)F)cc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCc3ccc(C(C)=O)cc3)cc12.CNCCN(C)Cc1[nH]nc2ccc(OCc3cccc(NC(C)=O)c3)cc12
InChIInChI=1S/C24H33N3O.C22H27F2N3O.C22H27N3O2.C21H27N5O2/c1-6-7-14-27(5)16-23-21-15-20(12-13-22(21)25-26-23)28-17-18-8-10-19(11-9-18)24(2,3)4;1-4-5-12-27(3)14-21-19-13-18(10-11-20(19)25-26-21)28-15-16-6-8-17(9-7-16)22(2,23)24;1-4-5-12-25(3)14-22-20-13-19(10-11-21(20)23-24-22)27-15-17-6-8-18(9-7-17)16(2)26;1-15(27)23-17-6-4-5-16(11-17)14-28-18-7-8-20-19(12-18)21(25-24-20)13-26(3)10-9-22-2/h8-13,15H,6-7,14,16-17H2,1-5H3,(H,25,26);6-11,13H,4-5,12,14-15H2,1-3H3,(H,25,26);6-11,13H,4-5,12,14-15H2,1-3H3,(H,23,24);4-8,11-12,22H,9-10,13-14H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyJBWPTGAKFKONCQ-UHFFFAOYSA-N
MW1513.98 g/mol
LogP18.48
Rot. Bonds35

About 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide

1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide (PubChem CID 158871339) has the molecular formula C89H114F2N14O6 and a molecular weight of 1513.98 g/mol. Its IUPAC name is 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide
PubChem CID158871339
Molecular FormulaC89H114F2N14O6
Molecular Weight1513.98 g/mol
Exact Mass1512.90
IUPAC Name1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide
SMILESCCCCN(C)Cc1[nH]nc2ccc(OCc3ccc(C(C)(C)C)cc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCc3ccc(C(C)(F)F)cc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCc3ccc(C(C)=O)cc3)cc12.CNCCN(C)Cc1[nH]nc2ccc(OCc3cccc(NC(C)=O)c3)cc12
InChIInChI=1S/C24H33N3O.C22H27F2N3O.C22H27N3O2.C21H27N5O2/c1-6-7-14-27(5)16-23-21-15-20(12-13-22(21)25-26-23)28-17-18-8-10-19(11-9-18)24(2,3)4;1-4-5-12-27(3)14-21-19-13-18(10-11-20(19)25-26-21)28-15-16-6-8-17(9-7-16)22(2,23)24;1-4-5-12-25(3)14-22-20-13-19(10-11-21(20)23-24-22)27-15-17-6-8-18(9-7-17)16(2)26;1-15(27)23-17-6-4-5-16(11-17)14-28-18-7-8-20-19(12-18)21(25-24-20)13-26(3)10-9-22-2/h8-13,15H,6-7,14,16-17H2,1-5H3,(H,25,26);6-11,13H,4-5,12,14-15H2,1-3H3,(H,25,26);6-11,13H,4-5,12,14-15H2,1-3H3,(H,23,24);4-8,11-12,22H,9-10,13-14H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyJBWPTGAKFKONCQ-UHFFFAOYSA-N
XLogP18.48
TPSA222.80 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001513.98
LogP ≤ 518.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide with MolForge

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Related Compounds

N-[[5-[(4-ethynylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine
CID 158690966
N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine
CID 147717403
4-[(3-acetamidophenoxy)methyl]benzoic acid
CID 28829525
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374
3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide
CID 19578403
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 2552725
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide
CID 20778085
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 139501079

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide?
The IUPAC name of 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide (CID 158871339) is 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide.
What is the SMILES notation for 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide?
The canonical SMILES for 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide is CCCCN(C)Cc1[nH]nc2ccc(OCc3ccc(C(C)(C)C)cc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCc3ccc(C(C)(F)F)cc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCc3ccc(C(C)=O)cc3)cc12.CNCCN(C)Cc1[nH]nc2ccc(OCc3cccc(NC(C)=O)c3)cc12.
What is the InChIKey of 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide?
The InChIKey is JBWPTGAKFKONCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O.C22H27F2N3O.C22H27N3O2.C21H27N5O2/c1-6-7-14-27(5)16-23-21-15-20(12-13-22(21)25-26-23)28-17-18-8-10-19(11-9-18)24(2,3)4;1-4-5-12-27(3)14-21-19-13-18(10-11-20(19)25-26-21)28-15-16-6-8-17(9-7-16)22(2,23)24;1-4-5-12-25(3)14-22-20-13-19(10-11-21(20)23-24-22)27-15-17-6-8-18(9-7-17)16(2)26;1-15(27)23-17-6-4-5-16(11-17)14-28-18-7-8-20-19(12-18)21(25-24-20)13-26(3)10-9-22-2/h8-13,15H,6-7,14,16-17H2,1-5H3,(H,25,26);6-11,13H,4-5,12,14-15H2,1-3H3,(H,25,26);6-11,13H,4-5,12,14-15H2,1-3H3,(H,23,24);4-8,11-12,22H,9-10,13-14H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide?
1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide has a molecular weight of 1513.98 g/mol, XLogP of 18.48, 35 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 158871339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).