4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine

C23H18N6 — CID 6539429

IUPAC4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccccc3)nn2n1
InChIInChI=1S/C23H18N6/c1-16-12-13-20-21(22(28-29(20)27-16)17-8-4-2-5-9-17)19-14-15-24-23(26-19)25-18-10-6-3-7-11-18/h2-15H,1H3,(H,24,25,26)
InChIKeySIUDXFQDMNOIOJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.91
Rot. Bonds4

About 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine

4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine (PubChem CID 6539429) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
PubChem CID6539429
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccccc3)nn2n1
InChIInChI=1S/C23H18N6/c1-16-12-13-20-21(22(28-29(20)27-16)17-8-4-2-5-9-17)19-14-15-24-23(26-19)25-18-10-6-3-7-11-18/h2-15H,1H3,(H,24,25,26)
InChIKeySIUDXFQDMNOIOJ-UHFFFAOYSA-N
XLogP4.91
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine (CID 6539429) is 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine is Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccccc3)nn2n1.
What is the InChIKey of 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is SIUDXFQDMNOIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6/c1-16-12-13-20-21(22(28-29(20)27-16)17-8-4-2-5-9-17)19-14-15-24-23(26-19)25-18-10-6-3-7-11-18/h2-15H,1H3,(H,24,25,26).
What are the key properties of 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 378.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 6539429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).