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

C25H25N5O — CID 24988746

IUPAC3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C25H25N5O/c1-29-13-15-30(16-14-29)24-22-17-20(9-12-23(22)27-28-24)25(31)26-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,26,31)(H,27,28)
InChIKeyYLDRXQYHFDUHLN-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.23
Rot. Bonds4

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

3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide (PubChem CID 24988746) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide
PubChem CID24988746
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C25H25N5O/c1-29-13-15-30(16-14-29)24-22-17-20(9-12-23(22)27-28-24)25(31)26-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,26,31)(H,27,28)
InChIKeyYLDRXQYHFDUHLN-UHFFFAOYSA-N
XLogP4.23
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide (CID 24988746) is 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide is CN1CCN(c2n[nH]c3ccc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is YLDRXQYHFDUHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-29-13-15-30(16-14-29)24-22-17-20(9-12-23(22)27-28-24)25(31)26-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,26,31)(H,27,28).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide?
3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 24988746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).