4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide

C26H27N5O2 — CID 46244124

IUPAC4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5ccccc5)cc34)cc2)CC1
InChIInChI=1S/C26H27N5O2/c1-30-13-15-31(16-14-30)21-9-7-20(8-10-21)26(32)27-25-23-17-22(11-12-24(23)28-29-25)33-18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H2,27,28,29,32)
InChIKeyFPXDLDKBTHGTGX-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.15
Rot. Bonds6

About 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide

4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide (PubChem CID 46244124) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
PubChem CID46244124
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5ccccc5)cc34)cc2)CC1
InChIInChI=1S/C26H27N5O2/c1-30-13-15-31(16-14-30)21-9-7-20(8-10-21)26(32)27-25-23-17-22(11-12-24(23)28-29-25)33-18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H2,27,28,29,32)
InChIKeyFPXDLDKBTHGTGX-UHFFFAOYSA-N
XLogP4.15
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244209
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982520
N-[6-(1-benzylpiperidin-1-ium-1-yl)oxy-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 89158415
N-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 46245012
N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584379
N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584307
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-2-(4-methoxybutyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 58513769
4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982585
tert-butyl formate;4-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxy-1,9-diazatricyclo[4.3.0.02,7]nona-2(7),3,5,8-tetraen-8-yl)benzamide
CID 174701755
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-2-[(1-methoxy-2-methylpropan-2-yl)amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 46244746
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-2-(3-methoxy-2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 58513791

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide (CID 46244124) is 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5ccccc5)cc34)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide?
The InChIKey is FPXDLDKBTHGTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-30-13-15-31(16-14-30)21-9-7-20(8-10-21)26(32)27-25-23-17-22(11-12-24(23)28-29-25)33-18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H2,27,28,29,32).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide?
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide has a molecular weight of 441.54 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 46244124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).