N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine

C62H88F2N12O6Si3 — CID 167551997

IUPACN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)N4CCN(C)CC4)[nH]3)n[nH]c2c1.CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C37H60FN5O4Si3.C25H28FN7O2/c1-11-28-21-35(47-27-46-16-19-50(8,9)10)33(38)22-32(28)29-12-13-31-34(20-29)43(26-45-15-18-49(5,6)7)41-36(31)37-40-30(23-39)24-42(37)25-44-14-17-48(2,3)4;1-3-15-11-22(34)20(26)12-19(15)16-4-5-18-21(10-16)30-31-23(18)24-27-13-17(29-24)14-28-25(35)33-8-6-32(2)7-9-33/h12-13,20-22,24H,11,14-19,23,25-27,39H2,1-10H3;4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,27,29)(H,28,35)(H,30,31)
InChIKeyCNLMIHDPCNKPIC-UHFFFAOYSA-N
MW1219.72 g/mol
LogP12.53
Rot. Bonds25

About N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine

N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine (PubChem CID 167551997) has the molecular formula C62H88F2N12O6Si3 and a molecular weight of 1219.72 g/mol. Its IUPAC name is N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine
PubChem CID167551997
Molecular FormulaC62H88F2N12O6Si3
Molecular Weight1219.72 g/mol
Exact Mass1218.62
IUPAC NameN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)N4CCN(C)CC4)[nH]3)n[nH]c2c1.CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C37H60FN5O4Si3.C25H28FN7O2/c1-11-28-21-35(47-27-46-16-19-50(8,9)10)33(38)22-32(28)29-12-13-31-34(20-29)43(26-45-15-18-49(5,6)7)41-36(31)37-40-30(23-39)24-42(37)25-44-14-17-48(2,3)4;1-3-15-11-22(34)20(26)12-19(15)16-4-5-18-21(10-16)30-31-23(18)24-27-13-17(29-24)14-28-25(35)33-8-6-32(2)7-9-33/h12-13,20-22,24H,11,14-19,23,25-27,39H2,1-10H3;4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,27,29)(H,28,35)(H,30,31)
InChIKeyCNLMIHDPCNKPIC-UHFFFAOYSA-N
XLogP12.53
TPSA211.75 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001219.72
LogP ≤ 512.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine with MolForge

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Related Compounds

2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
CID 146167584
5-Ethyl-2-fluoro-4-{3-[5-(6-phenoxy-pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-phenol
CID 136263979
2-fluoro-4-[3-[5-[(6-phenoxypyridin-3-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-(2,2,2-trifluoroethyl)phenol
CID 140251274
tert-butyl 2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 155665190
2-[[5-Ethyl-2-fluoro-4-[3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
CID 155665194
cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone
CID 155665226
N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide
CID 156572644
N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
CID 156572712
N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-1-methylpyrrolidin-3-amine
CID 156776418
2-[[4-(2-Azabicyclo[2.2.2]octan-2-ylmethyl)-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 156776419
N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylidene]hydroxylamine
CID 156776420
(3S)-N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-3-hydroxypyrrolidine-1-carboxamide
CID 156776423

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine?
The IUPAC name of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine (CID 167551997) is N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine?
The canonical SMILES for N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine is CCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)N4CCN(C)CC4)[nH]3)n[nH]c2c1.CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CN)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine?
The InChIKey is CNLMIHDPCNKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H60FN5O4Si3.C25H28FN7O2/c1-11-28-21-35(47-27-46-16-19-50(8,9)10)33(38)22-32(28)29-12-13-31-34(20-29)43(26-45-15-18-49(5,6)7)41-36(31)37-40-30(23-39)24-42(37)25-44-14-17-48(2,3)4;1-3-15-11-22(34)20(26)12-19(15)16-4-5-18-21(10-16)30-31-23(18)24-27-13-17(29-24)14-28-25(35)33-8-6-32(2)7-9-33/h12-13,20-22,24H,11,14-19,23,25-27,39H2,1-10H3;4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,27,29)(H,28,35)(H,30,31).
What are the key properties of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine?
N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine has a molecular weight of 1219.72 g/mol, XLogP of 12.53, 25 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide;[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 167551997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).