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

C26H30N4O2 — CID 24819013

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccccc2N2CCOCC2)cc1C
InChIInChI=1S/C26H30N4O2/c1-18-10-11-20(16-19(18)2)30-25-9-5-7-23(22(25)17-27-30)28-26(31)21-6-3-4-8-24(21)29-12-14-32-15-13-29/h3-4,6,8,10-11,16-17,23H,5,7,9,12-15H2,1-2H3,(H,28,31)
InChIKeyOKCHKKQKLKQCRN-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.13
Rot. Bonds4

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

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide (PubChem CID 24819013) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
PubChem CID24819013
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccccc2N2CCOCC2)cc1C
InChIInChI=1S/C26H30N4O2/c1-18-10-11-20(16-19(18)2)30-25-9-5-7-23(22(25)17-27-30)28-26(31)21-6-3-4-8-24(21)29-12-14-32-15-13-29/h3-4,6,8,10-11,16-17,23H,5,7,9,12-15H2,1-2H3,(H,28,31)
InChIKeyOKCHKKQKLKQCRN-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

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Related Compounds

Epz005687
CID 60160561
hCB1 Inhibitor, 2{1,1,8}
CID 11465875
4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9266746
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16193474
N-(4-morpholinophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811266
N-[2-(morpholin-4-yl)ethyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 17469911
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
CID 25664616
2-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2H-indazole-7-carboxamide
CID 44549376
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-indazole-7-carboxamide
CID 44549377
2-[4-(Morpholin-4-ylmethyl)phenyl]-2H-indazole-7-carboxamide
CID 44549650
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 45736384
2-(4-(2-morpholinoethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226282

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide (CID 24819013) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide is Cc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccccc2N2CCOCC2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The InChIKey is OKCHKKQKLKQCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-10-11-20(16-19(18)2)30-25-9-5-7-23(22(25)17-27-30)28-26(31)21-6-3-4-8-24(21)29-12-14-32-15-13-29/h3-4,6,8,10-11,16-17,23H,5,7,9,12-15H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
N-[1-(3,4-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-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 24819013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).