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

C25H26F3N7O4 — CID 90461628

IUPACN-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ncc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
InChIInChI=1S/C25H26F3N7O4/c1-15-19(11-17(14-29-15)31-23(36)16-10-22(25(26,27)28)33-30-13-16)20-12-21(35-4-8-38-9-5-35)24(34-32-20)39-18-2-6-37-7-3-18/h10-14,18H,2-9H2,1H3,(H,31,36)
InChIKeyAWTBVIRWXQYTRR-UHFFFAOYSA-N
MW545.52 g/mol
LogP3.30
Rot. Bonds6

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

N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 90461628) has the molecular formula C25H26F3N7O4 and a molecular weight of 545.52 g/mol. Its IUPAC name is N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID90461628
Molecular FormulaC25H26F3N7O4
Molecular Weight545.52 g/mol
Exact Mass545.20
IUPAC NameN-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ncc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
InChIInChI=1S/C25H26F3N7O4/c1-15-19(11-17(14-29-15)31-23(36)16-10-22(25(26,27)28)33-30-13-16)20-12-21(35-4-8-38-9-5-35)24(34-32-20)39-18-2-6-37-7-3-18/h10-14,18H,2-9H2,1H3,(H,31,36)
InChIKeyAWTBVIRWXQYTRR-UHFFFAOYSA-N
XLogP3.30
TPSA124.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-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-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 90461628) is N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1ncc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.
What is the InChIKey of N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is AWTBVIRWXQYTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O4/c1-15-19(11-17(14-29-15)31-23(36)16-10-22(25(26,27)28)33-30-13-16)20-12-21(35-4-8-38-9-5-35)24(34-32-20)39-18-2-6-37-7-3-18/h10-14,18H,2-9H2,1H3,(H,31,36).
What are the key properties of N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 545.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 90461628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).