3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide

C26H27N5O2 — CID 24988745

IUPAC3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)Nc4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C26H27N5O2/c1-30-13-15-31(16-14-30)25-23-17-20(7-12-24(23)28-29-25)26(32)27-21-8-10-22(11-9-21)33-18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,27,32)(H,28,29)
InChIKeyVZEIVBXYNPFMAA-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.15
Rot. Bonds6

About 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide

3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide (PubChem CID 24988745) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide
PubChem CID24988745
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)Nc4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C26H27N5O2/c1-30-13-15-31(16-14-30)25-23-17-20(7-12-24(23)28-29-25)26(32)27-21-8-10-22(11-9-21)33-18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,27,32)(H,28,29)
InChIKeyVZEIVBXYNPFMAA-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide (CID 24988745) is 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide is CN1CCN(c2n[nH]c3ccc(C(=O)Nc4ccc(OCc5ccccc5)cc4)cc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide?
The InChIKey is VZEIVBXYNPFMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-30-13-15-31(16-14-30)25-23-17-20(7-12-24(23)28-29-25)26(32)27-21-8-10-22(11-9-21)33-18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,27,32)(H,28,29).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide?
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide 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 3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 24988745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).