N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide

C57H55FN10O5 — CID 158841599

IUPACN-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Oc5ccc(OCc6ccccc6)cc5)cc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Oc5cccc(F)c5)cc34)cc2)CC1
InChIInChI=1S/C32H31N5O3.C25H24FN5O2/c1-36-17-19-37(20-18-36)25-9-7-24(8-10-25)32(38)33-31-29-21-28(15-16-30(29)34-35-31)40-27-13-11-26(12-14-27)39-22-23-5-3-2-4-6-23;1-30-11-13-31(14-12-30)19-7-5-17(6-8-19)25(32)27-24-22-16-21(9-10-23(22)28-29-24)33-20-4-2-3-18(26)15-20/h2-16,21H,17-20,22H2,1H3,(H2,33,34,35,38);2-10,15-16H,11-14H2,1H3,(H2,27,28,29,32)
InChIKeyIYHTXFPGJZHTOV-UHFFFAOYSA-N
MW979.13 g/mol
LogP10.44
Rot. Bonds13

About N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide

N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide (PubChem CID 158841599) has the molecular formula C57H55FN10O5 and a molecular weight of 979.13 g/mol. Its IUPAC name is N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide
PubChem CID158841599
Molecular FormulaC57H55FN10O5
Molecular Weight979.13 g/mol
Exact Mass978.43
IUPAC NameN-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Oc5ccc(OCc6ccccc6)cc5)cc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Oc5cccc(F)c5)cc34)cc2)CC1
InChIInChI=1S/C32H31N5O3.C25H24FN5O2/c1-36-17-19-37(20-18-36)25-9-7-24(8-10-25)32(38)33-31-29-21-28(15-16-30(29)34-35-31)40-27-13-11-26(12-14-27)39-22-23-5-3-2-4-6-23;1-30-11-13-31(14-12-30)19-7-5-17(6-8-19)25(32)27-24-22-16-21(9-10-23(22)28-29-24)33-20-4-2-3-18(26)15-20/h2-16,21H,17-20,22H2,1H3,(H2,33,34,35,38);2-10,15-16H,11-14H2,1H3,(H2,27,28,29,32)
InChIKeyIYHTXFPGJZHTOV-UHFFFAOYSA-N
XLogP10.44
TPSA156.21 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.13
LogP ≤ 510.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]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-[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
4-(4-acetylpiperazin-1-yl)-N-[6-(2,6-difluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 137658026

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide (CID 158841599) is N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Oc5ccc(OCc6ccccc6)cc5)cc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Oc5cccc(F)c5)cc34)cc2)CC1.
What is the InChIKey of N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide?
The InChIKey is IYHTXFPGJZHTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O3.C25H24FN5O2/c1-36-17-19-37(20-18-36)25-9-7-24(8-10-25)32(38)33-31-29-21-28(15-16-30(29)34-35-31)40-27-13-11-26(12-14-27)39-22-23-5-3-2-4-6-23;1-30-11-13-31(14-12-30)19-7-5-17(6-8-19)25(32)27-24-22-16-21(9-10-23(22)28-29-24)33-20-4-2-3-18(26)15-20/h2-16,21H,17-20,22H2,1H3,(H2,33,34,35,38);2-10,15-16H,11-14H2,1H3,(H2,27,28,29,32).
What are the key properties of N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide?
N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide has a molecular weight of 979.13 g/mol, XLogP of 10.44, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 158841599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).