tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate

C26H35ClN4O4 — CID 69088884

IUPACtert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1cccc(Cl)c1)C1CCC(n2nc(N3CCOCC3)ccc2=O)CC1
InChIInChI=1S/C26H35ClN4O4/c1-26(2,3)35-25(33)28-24(19-5-4-6-20(27)17-19)18-7-9-21(10-8-18)31-23(32)12-11-22(29-31)30-13-15-34-16-14-30/h4-6,11-12,17-18,21,24H,7-10,13-16H2,1-3H3,(H,28,33)
InChIKeyBSGKUOOJUFUQGN-UHFFFAOYSA-N
MW503.04 g/mol
LogP4.73
Rot. Bonds5

About tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate

tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate (PubChem CID 69088884) has the molecular formula C26H35ClN4O4 and a molecular weight of 503.04 g/mol. Its IUPAC name is tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate
PubChem CID69088884
Molecular FormulaC26H35ClN4O4
Molecular Weight503.04 g/mol
Exact Mass502.23
IUPAC Nametert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1cccc(Cl)c1)C1CCC(n2nc(N3CCOCC3)ccc2=O)CC1
InChIInChI=1S/C26H35ClN4O4/c1-26(2,3)35-25(33)28-24(19-5-4-6-20(27)17-19)18-7-9-21(10-8-18)31-23(32)12-11-22(29-31)30-13-15-34-16-14-30/h4-6,11-12,17-18,21,24H,7-10,13-16H2,1-3H3,(H,28,33)
InChIKeyBSGKUOOJUFUQGN-UHFFFAOYSA-N
XLogP4.73
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.04
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(3-chlorophenyl)-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]methyl]carbamate
CID 69039631
tert-butyl N-[(3-chlorophenyl)-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]methyl]carbamate
CID 71184441
tert-butyl N-[(3-chlorophenyl)-[4-(1,4-dioxo-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methyl]carbamate
CID 69041166
tert-butyl N-[(3-chlorophenyl)-[4-(3-methyl-6-oxo-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclohexyl]methyl]carbamate
CID 69040011
tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate
CID 69039552
tert-butyl N-[(3-chlorophenyl)-[4-[cyclopropylmethyl-(5-phenylpyridine-3-carbonyl)amino]cyclohexyl]methyl]carbamate
CID 71184366
tert-butyl N-[[4-(3-acetamido-6-oxopyridazin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 69044890
tert-butyl N-[1-(3-chlorophenyl)-2-(oxolane-3-carbonylamino)ethyl]carbamate
CID 69109053
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 170580748
1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 175582952
tert-butyl N-[[4-[3-[5-(2-amino-2-oxoethyl)-2H-triazol-4-yl]-6-oxopyridazin-1-yl]-1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 71184344
tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
CID 126674600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate (CID 69088884) is tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NC(c1cccc(Cl)c1)C1CCC(n2nc(N3CCOCC3)ccc2=O)CC1.
What is the InChIKey of tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate?
The InChIKey is BSGKUOOJUFUQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O4/c1-26(2,3)35-25(33)28-24(19-5-4-6-20(27)17-19)18-7-9-21(10-8-18)31-23(32)12-11-22(29-31)30-13-15-34-16-14-30/h4-6,11-12,17-18,21,24H,7-10,13-16H2,1-3H3,(H,28,33).
What are the key properties of tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate?
tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate has a molecular weight of 503.04 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-chlorophenyl)-[4-(3-morpholin-4-yl-6-oxopyridazin-1-yl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 69088884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).