N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide

C27H27F2N5O3 — CID 153406241

IUPACN-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide
SMILESCOc1cc(OC)c(F)c(-c2ccc3c(NC(=O)c4ccc(N5CCNC(C)C5)cc4)n[nH]c3c2)c1F
InChIInChI=1S/C27H27F2N5O3/c1-15-14-34(11-10-30-15)18-7-4-16(5-8-18)27(35)31-26-19-9-6-17(12-20(19)32-33-26)23-24(28)21(36-2)13-22(37-3)25(23)29/h4-9,12-13,15,30H,10-11,14H2,1-3H3,(H2,31,32,33,35)
InChIKeyVQENSZASFFJPAT-UHFFFAOYSA-N
MW507.54 g/mol
LogP4.58
Rot. Bonds6

About N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide

N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide (PubChem CID 153406241) has the molecular formula C27H27F2N5O3 and a molecular weight of 507.54 g/mol. Its IUPAC name is N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide
PubChem CID153406241
Molecular FormulaC27H27F2N5O3
Molecular Weight507.54 g/mol
Exact Mass507.21
IUPAC NameN-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide
SMILESCOc1cc(OC)c(F)c(-c2ccc3c(NC(=O)c4ccc(N5CCNC(C)C5)cc4)n[nH]c3c2)c1F
InChIInChI=1S/C27H27F2N5O3/c1-15-14-34(11-10-30-15)18-7-4-16(5-8-18)27(35)31-26-19-9-6-17(12-20(19)32-33-26)23-24(28)21(36-2)13-22(37-3)25(23)29/h4-9,12-13,15,30H,10-11,14H2,1-3H3,(H2,31,32,33,35)
InChIKeyVQENSZASFFJPAT-UHFFFAOYSA-N
XLogP4.58
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide
CID 145019752
6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 145192711
3-[[4-[(3S)-3-methylpiperazin-1-yl]benzoyl]amino]-N-(1-phenylethyl)-1H-indazole-5-carboxamide
CID 122584561
4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
CID 141458906
N-[6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-1H-indazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 166774557
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 129308354
3-[[4-[(3R)-3-methylpiperazin-1-yl]benzoyl]amino]-N-(1-phenylethyl)-1H-indazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 122584267
N-[6-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 154827116
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
3-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-N-(1-thiophen-2-ylpropyl)-1H-indazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 122584391
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide (CID 153406241) is N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide is COc1cc(OC)c(F)c(-c2ccc3c(NC(=O)c4ccc(N5CCNC(C)C5)cc4)n[nH]c3c2)c1F.
What is the InChIKey of N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide?
The InChIKey is VQENSZASFFJPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O3/c1-15-14-34(11-10-30-15)18-7-4-16(5-8-18)27(35)31-26-19-9-6-17(12-20(19)32-33-26)23-24(28)21(36-2)13-22(37-3)25(23)29/h4-9,12-13,15,30H,10-11,14H2,1-3H3,(H2,31,32,33,35).
What are the key properties of N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide?
N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide has a molecular weight of 507.54 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 153406241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).