tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine

C69H77N17O5 — CID 157074444

IUPACtert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)NCc4ccccn4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NCc5ccccn5)[nH]4)c3c2)c1C.NCc1ccccc1
InChIInChI=1S/C36H42N8O4.C26H26N8O.C7H9N/c1-6-43(35(46)48-36(3,4)5)22-25-18-37-20-28(23(25)2)24-13-14-30-27(17-24)32(42-44(30)31-12-8-10-16-47-31)33-39-21-29(41-33)34(45)40-19-26-11-7-9-15-38-26;1-3-27-11-18-12-28-14-21(16(18)2)17-7-8-22-20(10-17)24(34-33-22)25-30-15-23(32-25)26(35)31-13-19-6-4-5-9-29-19;8-6-7-4-2-1-3-5-7/h7,9,11,13-15,17-18,20-21,31H,6,8,10,12,16,19,22H2,1-5H3,(H,39,41)(H,40,45);4-10,12,14-15,27H,3,11,13H2,1-2H3,(H,30,32)(H,31,35)(H,33,34);1-5H,6,8H2
InChIKeyACUQSSQMCGIZSG-UHFFFAOYSA-N
MW1224.49 g/mol
LogP11.48
Rot. Bonds18

About tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine

tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine (PubChem CID 157074444) has the molecular formula C69H77N17O5 and a molecular weight of 1224.49 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine
PubChem CID157074444
Molecular FormulaC69H77N17O5
Molecular Weight1224.49 g/mol
Exact Mass1223.63
IUPAC Nametert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)NCc4ccccn4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NCc5ccccn5)[nH]4)c3c2)c1C.NCc1ccccc1
InChIInChI=1S/C36H42N8O4.C26H26N8O.C7H9N/c1-6-43(35(46)48-36(3,4)5)22-25-18-37-20-28(23(25)2)24-13-14-30-27(17-24)32(42-44(30)31-12-8-10-16-47-31)33-39-21-29(41-33)34(45)40-19-26-11-7-9-15-38-26;1-3-27-11-18-12-28-14-21(16(18)2)17-7-8-22-20(10-17)24(34-33-22)25-30-15-23(32-25)26(35)31-13-19-6-4-5-9-29-19;8-6-7-4-2-1-3-5-7/h7,9,11,13-15,17-18,20-21,31H,6,8,10,12,16,19,22H2,1-5H3,(H,39,41)(H,40,45);4-10,12,14-15,27H,3,11,13H2,1-2H3,(H,30,32)(H,31,35)(H,33,34);1-5H,6,8H2
InChIKeyACUQSSQMCGIZSG-UHFFFAOYSA-N
XLogP11.48
TPSA290.44 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001224.49
LogP ≤ 511.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1-(6-(1-(tetrahydro-2H-pyran-2-yl)-5-(3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-3-yl)pyrazin-2-yl)piperidin-4-ylcarbamate
CID 67959786
tert-butyl N-[6-[1-(oxan-2-yl)-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]indazol-3-yl]pyrazin-2-yl]-N-piperidin-4-ylcarbamate
CID 123811301
tert-butyl N-ethyl-N-[[5-[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate
CID 135992105
[4-(2,4-difluorophenyl)piperazin-1-yl]-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]methanone
CID 135992213
tert-butyl N-ethyl-N-[[5-[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate
CID 135992264
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide
CID 135992281
Ethyl-{4-methyl-5-[3-[5-methyl-4-(3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-1-(tetrahydro-pyran-2-yl)-1H-indazol-5-yl]-pyridin-3-ylmethyl}-carbamic acid tert-butyl ester
CID 135992283
N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methylpyridin-3-yl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 135992360
tert-butyl N-[[5-[3-[5-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-ethylcarbamate
CID 135992362
tert-butyl N-ethyl-N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate
CID 136408261
[5-[3-[5-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl-ethylcarbamic acid
CID 136480422
1-[5-[3-[5-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]propan-2-ylcarbamic acid
CID 136480423

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine?
The IUPAC name of tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine (CID 157074444) is tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine.
What is the SMILES notation for tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine?
The canonical SMILES for tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine is CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)NCc4ccccn4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NCc5ccccn5)[nH]4)c3c2)c1C.NCc1ccccc1.
What is the InChIKey of tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine?
The InChIKey is ACUQSSQMCGIZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N8O4.C26H26N8O.C7H9N/c1-6-43(35(46)48-36(3,4)5)22-25-18-37-20-28(23(25)2)24-13-14-30-27(17-24)32(42-44(30)31-12-8-10-16-47-31)33-39-21-29(41-33)34(45)40-19-26-11-7-9-15-38-26;1-3-27-11-18-12-28-14-21(16(18)2)17-7-8-22-20(10-17)24(34-33-22)25-30-15-23(32-25)26(35)31-13-19-6-4-5-9-29-19;8-6-7-4-2-1-3-5-7/h7,9,11,13-15,17-18,20-21,31H,6,8,10,12,16,19,22H2,1-5H3,(H,39,41)(H,40,45);4-10,12,14-15,27H,3,11,13H2,1-2H3,(H,30,32)(H,31,35)(H,33,34);1-5H,6,8H2.
What are the key properties of tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine?
tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine has a molecular weight of 1224.49 g/mol, XLogP of 11.48, 18 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-2-ylmethyl)-1H-imidazole-5-carboxamide;phenylmethanamine is sourced from PubChem (CID 157074444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).