N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide

C25H25N5O2 — CID 155926646

IUPACN-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc3c(c2)c(-c2ccc(N)cc2C)nn3C)ccc1C
InChIInChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyVDECLLOCJJYNOL-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.65
Rot. Bonds4

About N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide

N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide (PubChem CID 155926646) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide
PubChem CID155926646
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc3c(c2)c(-c2ccc(N)cc2C)nn3C)ccc1C
InChIInChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyVDECLLOCJJYNOL-UHFFFAOYSA-N
XLogP4.65
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide (CID 155926646) is N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide is CC(=O)Nc1cc(NC(=O)c2ccc3c(c2)c(-c2ccc(N)cc2C)nn3C)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide?
The InChIKey is VDECLLOCJJYNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32).
What are the key properties of N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide?
N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-3-(4-amino-2-methylphenyl)-1-methylindazole-5-carboxamide is sourced from PubChem (CID 155926646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).