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

C22H16N6 — CID 6539399

IUPACN-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1
InChIInChI=1S/C22H16N6/c1-3-8-16(9-4-1)21-20(19-12-7-14-24-28(19)27-21)18-13-15-23-22(26-18)25-17-10-5-2-6-11-17/h1-15H,(H,23,25,26)
InChIKeyUTOOHPODUPHFBL-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.60
Rot. Bonds4

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

N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 6539399) has the molecular formula C22H16N6 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID6539399
Molecular FormulaC22H16N6
Molecular Weight364.41 g/mol
Exact Mass364.14
IUPAC NameN-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1
InChIInChI=1S/C22H16N6/c1-3-8-16(9-4-1)21-20(19-12-7-14-24-28(19)27-21)18-13-15-23-22(26-18)25-17-10-5-2-6-11-17/h1-15H,(H,23,25,26)
InChIKeyUTOOHPODUPHFBL-UHFFFAOYSA-N
XLogP4.60
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)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 N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (CID 6539399) is N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is c1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1.
What is the InChIKey of N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is UTOOHPODUPHFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6/c1-3-8-16(9-4-1)21-20(19-12-7-14-24-28(19)27-21)18-13-15-23-22(26-18)25-17-10-5-2-6-11-17/h1-15H,(H,23,25,26).
What are the key properties of N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine has a molecular weight of 364.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 6539399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).