4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide

C25H29N5O2 — CID 138606041

IUPAC4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cccnn3)ccc2cn1)C1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C25H29N5O2/c31-25(19-5-3-18(4-6-19)17-30-10-12-32-13-11-30)28-24-15-22-14-20(7-8-21(22)16-26-24)23-2-1-9-27-29-23/h1-2,7-9,14-16,18-19H,3-6,10-13,17H2,(H,26,28,31)
InChIKeyJRERECGNNDIOEN-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.77
Rot. Bonds5

About 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide

4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide (PubChem CID 138606041) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide
PubChem CID138606041
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cccnn3)ccc2cn1)C1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C25H29N5O2/c31-25(19-5-3-18(4-6-19)17-30-10-12-32-13-11-30)28-24-15-22-14-20(7-8-21(22)16-26-24)23-2-1-9-27-29-23/h1-2,7-9,14-16,18-19H,3-6,10-13,17H2,(H,26,28,31)
InChIKeyJRERECGNNDIOEN-UHFFFAOYSA-N
XLogP3.77
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide 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

1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147432485
2-morpholin-4-yl-N-(6-pyridazin-3-ylisoquinolin-3-yl)acetamide
CID 138586345
N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine
CID 142575426
2-morpholin-4-yl-N-(3-pyridazin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138588047
3-(2,2-difluoroethylamino)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclobutane-1-carboxamide
CID 138606088
2-morpholin-4-yl-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
CID 138586327
4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606080
1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
CID 138586292
N-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]isoquinolin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]cyclohexane-1-carboxamide
CID 166702429
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147027857
N-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]isoquinolin-3-yl]-2-morpholin-4-ylacetamide
CID 166702399

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide (CID 138606041) is 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide is O=C(Nc1cc2cc(-c3cccnn3)ccc2cn1)C1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is JRERECGNNDIOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c31-25(19-5-3-18(4-6-19)17-30-10-12-32-13-11-30)28-24-15-22-14-20(7-8-21(22)16-26-24)23-2-1-9-27-29-23/h1-2,7-9,14-16,18-19H,3-6,10-13,17H2,(H,26,28,31).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide?
4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 138606041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).