N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide

C53H52F4N10O4 — CID 158340369

IUPACN-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)cc(F)c5)cc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)cc34)cc2)CC1
InChIInChI=1S/C27H27F2N5O2.C26H25F2N5O2/c1-34-10-8-22(9-11-34)30-21-4-2-18(3-5-21)27(35)31-26-24-15-23(6-7-25(24)32-33-26)36-16-17-12-19(28)14-20(29)13-17;1-32-10-12-33(13-11-32)20-5-2-17(3-6-20)26(34)29-25-22-15-21(7-9-24(22)30-31-25)35-16-18-14-19(27)4-8-23(18)28/h2-7,12-15,22,30H,8-11,16H2,1H3,(H2,31,32,33,35);2-9,14-15H,10-13,16H2,1H3,(H2,29,30,31,34)
InChIKeyGRBZBQNCPFXLHP-UHFFFAOYSA-N
MW969.06 g/mol
LogP9.60
Rot. Bonds13

About N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide

N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (PubChem CID 158340369) has the molecular formula C53H52F4N10O4 and a molecular weight of 969.06 g/mol. Its IUPAC name is N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
PubChem CID158340369
Molecular FormulaC53H52F4N10O4
Molecular Weight969.06 g/mol
Exact Mass968.41
IUPAC NameN-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)cc(F)c5)cc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)cc34)cc2)CC1
InChIInChI=1S/C27H27F2N5O2.C26H25F2N5O2/c1-34-10-8-22(9-11-34)30-21-4-2-18(3-5-21)27(35)31-26-24-15-23(6-7-25(24)32-33-26)36-16-17-12-19(28)14-20(29)13-17;1-32-10-12-33(13-11-32)20-5-2-17(3-6-20)26(34)29-25-22-15-21(7-9-24(22)30-31-25)35-16-18-14-19(27)4-8-23(18)28/h2-7,12-15,22,30H,8-11,16H2,1H3,(H2,31,32,33,35);2-9,14-15H,10-13,16H2,1H3,(H2,29,30,31,34)
InChIKeyGRBZBQNCPFXLHP-UHFFFAOYSA-N
XLogP9.60
TPSA155.77 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.06
LogP ≤ 59.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide with MolForge

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Related Compounds

4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 91827382
4-(4-Ethylpiperazin-1-Yl)-N-[6-(3-Methoxyphenyl)-2h-Indazol-3-Yl]benzamide
CID 91801169
3-fluoro-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 137641558
N-[6-(2,6-difluoro-3-methoxyphenyl)-1H-indazol-3-yl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 137644088
N-[6-(2,6-difluoro-3-methoxyphenyl)-1H-indazol-3-yl]-4-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 137644932
N-[6-(2,6-difluoro-3-methoxyphenyl)-1H-indazol-3-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide
CID 137647631
N-[6-(2,6-difluoro-3-methoxyphenyl)-1H-indazol-3-yl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
CID 137649616
4-(4-ethylpiperazin-1-yl)-N-[6-(2,4,6-trifluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 137650459
4-(4-ethylpiperazin-1-yl)-N-[5-fluoro-6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 137651077
N-[6-(2,6-difluoro-3-methoxyphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 137654098
4-(4-ethylpiperazin-1-yl)-N-[4-fluoro-6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 137657383
N-[6-(2,6-difluoro-3-methoxyphenyl)-1H-indazol-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide
CID 137657677

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The IUPAC name of N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (CID 158340369) is N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is CN1CCC(Nc2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)cc(F)c5)cc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)cc34)cc2)CC1.
What is the InChIKey of N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The InChIKey is GRBZBQNCPFXLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O2.C26H25F2N5O2/c1-34-10-8-22(9-11-34)30-21-4-2-18(3-5-21)27(35)31-26-24-15-23(6-7-25(24)32-33-26)36-16-17-12-19(28)14-20(29)13-17;1-32-10-12-33(13-11-32)20-5-2-17(3-6-20)26(34)29-25-22-15-21(7-9-24(22)30-31-25)35-16-18-14-19(27)4-8-23(18)28/h2-7,12-15,22,30H,8-11,16H2,1H3,(H2,31,32,33,35);2-9,14-15H,10-13,16H2,1H3,(H2,29,30,31,34).
What are the key properties of N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide has a molecular weight of 969.06 g/mol, XLogP of 9.60, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 158340369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).