4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C18H13F3N6 — CID 6539394

IUPAC4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccc(C(F)(F)F)cc4)n3)cnn2n1
InChIInChI=1S/C18H13F3N6/c1-11-2-7-16-14(10-23-27(16)26-11)15-8-9-22-17(25-15)24-13-5-3-12(4-6-13)18(19,20)21/h2-10H,1H3,(H,22,24,25)
InChIKeyLOAIUSJMQXSEBK-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.26
Rot. Bonds3

About 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 6539394) has the molecular formula C18H13F3N6 and a molecular weight of 370.34 g/mol. Its IUPAC name is 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID6539394
Molecular FormulaC18H13F3N6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC Name4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccc(C(F)(F)F)cc4)n3)cnn2n1
InChIInChI=1S/C18H13F3N6/c1-11-2-7-16-14(10-23-27(16)26-11)15-8-9-22-17(25-15)24-13-5-3-12(4-6-13)18(19,20)21/h2-10H,1H3,(H,22,24,25)
InChIKeyLOAIUSJMQXSEBK-UHFFFAOYSA-N
XLogP4.26
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine 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 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 6539394) is 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is Cc1ccc2c(-c3ccnc(Nc4ccc(C(F)(F)F)cc4)n3)cnn2n1.
What is the InChIKey of 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is LOAIUSJMQXSEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6/c1-11-2-7-16-14(10-23-27(16)26-11)15-8-9-22-17(25-15)24-13-5-3-12(4-6-13)18(19,20)21/h2-10H,1H3,(H,22,24,25).
What are the key properties of 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 370.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 6539394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).