N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

C26H27F3N6O4 — CID 90456727

IUPACN-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
InChIInChI=1S/C26H27F3N6O4/c1-16-2-3-18(31-24(36)17-12-23(26(27,28)29)33-30-15-17)13-20(16)21-14-22(35-6-10-38-11-7-35)25(34-32-21)39-19-4-8-37-9-5-19/h2-3,12-15,19H,4-11H2,1H3,(H,31,36)
InChIKeyNHRDFGIYVIKRAG-UHFFFAOYSA-N
MW544.53 g/mol
LogP3.91
Rot. Bonds6

About N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 90456727) has the molecular formula C26H27F3N6O4 and a molecular weight of 544.53 g/mol. Its IUPAC name is N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID90456727
Molecular FormulaC26H27F3N6O4
Molecular Weight544.53 g/mol
Exact Mass544.20
IUPAC NameN-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
InChIInChI=1S/C26H27F3N6O4/c1-16-2-3-18(31-24(36)17-12-23(26(27,28)29)33-30-15-17)13-20(16)21-14-22(35-6-10-38-11-7-35)25(34-32-21)39-19-4-8-37-9-5-19/h2-3,12-15,19H,4-11H2,1H3,(H,31,36)
InChIKeyNHRDFGIYVIKRAG-UHFFFAOYSA-N
XLogP3.91
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide 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-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 90456727) is N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.
What is the InChIKey of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is NHRDFGIYVIKRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O4/c1-16-2-3-18(31-24(36)17-12-23(26(27,28)29)33-30-15-17)13-20(16)21-14-22(35-6-10-38-11-7-35)25(34-32-21)39-19-4-8-37-9-5-19/h2-3,12-15,19H,4-11H2,1H3,(H,31,36).
What are the key properties of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 544.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 90456727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).