3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide

C25H24N4O2 — CID 44580731

IUPAC3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C25H24N4O2/c1-17-5-6-19(14-23(17)18-7-8-24-20(13-18)16-26-28-24)25(30)27-21-3-2-4-22(15-21)29-9-11-31-12-10-29/h2-8,13-16H,9-12H2,1H3,(H,26,28)(H,27,30)
InChIKeyRURJNCDVNGCBPL-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.63
Rot. Bonds4

About 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide

3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 44580731) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID44580731
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C25H24N4O2/c1-17-5-6-19(14-23(17)18-7-8-24-20(13-18)16-26-28-24)25(30)27-21-3-2-4-22(15-21)29-9-11-31-12-10-29/h2-8,13-16H,9-12H2,1H3,(H,26,28)(H,27,30)
InChIKeyRURJNCDVNGCBPL-UHFFFAOYSA-N
XLogP4.63
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide (CID 44580731) is 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is RURJNCDVNGCBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-5-6-19(14-23(17)18-7-8-24-20(13-18)16-26-28-24)25(30)27-21-3-2-4-22(15-21)29-9-11-31-12-10-29/h2-8,13-16H,9-12H2,1H3,(H,26,28)(H,27,30).
What are the key properties of 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide?
3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 44580731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).