N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide

C26H30N4O2 — CID 24790740

IUPACN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)c2ccccc2N2CCOCC2)c1
InChIInChI=1S/C26H30N4O2/c1-18-14-19(2)16-20(15-18)30-25-9-5-7-23(22(25)17-27-30)28-26(31)21-6-3-4-8-24(21)29-10-12-32-13-11-29/h3-4,6,8,14-17,23H,5,7,9-13H2,1-2H3,(H,28,31)
InChIKeyMHASYVFJBABUFP-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.13
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide (PubChem CID 24790740) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
PubChem CID24790740
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)c2ccccc2N2CCOCC2)c1
InChIInChI=1S/C26H30N4O2/c1-18-14-19(2)16-20(15-18)30-25-9-5-7-23(22(25)17-27-30)28-26(31)21-6-3-4-8-24(21)29-10-12-32-13-11-29/h3-4,6,8,14-17,23H,5,7,9-13H2,1-2H3,(H,28,31)
InChIKeyMHASYVFJBABUFP-UHFFFAOYSA-N
XLogP4.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide (CID 24790740) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide is Cc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)c2ccccc2N2CCOCC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The InChIKey is MHASYVFJBABUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-14-19(2)16-20(15-18)30-25-9-5-7-23(22(25)17-27-30)28-26(31)21-6-3-4-8-24(21)29-10-12-32-13-11-29/h3-4,6,8,14-17,23H,5,7,9-13H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide has a molecular weight of 430.55 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 24790740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).