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

C25H28FN7O2 — CID 156572712

IUPACN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)N4CCN(C)CC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C25H28FN7O2/c1-3-15-11-22(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/h4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,27,29)(H,28,35)(H,30,31)
InChIKeyCFMHYPXZRXDLFC-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.48
Rot. Bonds5

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

N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide (PubChem CID 156572712) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 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.

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
PubChem CID156572712
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC NameN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)N4CCN(C)CC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C25H28FN7O2/c1-3-15-11-22(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/h4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,27,29)(H,28,35)(H,30,31)
InChIKeyCFMHYPXZRXDLFC-UHFFFAOYSA-N
XLogP3.48
TPSA113.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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?
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 (CID 156572712) is N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide.
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?
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 is CCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)N4CCN(C)CC4)[nH]3)n[nH]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?
The InChIKey is CFMHYPXZRXDLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-3-15-11-22(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/h4-5,10-13,34H,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?
N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 156572712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).