4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine

C19H18N8O — CID 155565334

IUPAC4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine
SMILESc1cncc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)c1
InChIInChI=1S/C19H18N8O/c1-2-14(12-20-6-1)23-19-21-7-5-16(24-19)15-13-22-27-17(15)3-4-18(25-27)26-8-10-28-11-9-26/h1-7,12-13H,8-11H2,(H,21,23,24)
InChIKeyRAZSXMDDUVIHMN-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.16
Rot. Bonds4

About 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine

4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine (PubChem CID 155565334) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine
PubChem CID155565334
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine
SMILESc1cncc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)c1
InChIInChI=1S/C19H18N8O/c1-2-14(12-20-6-1)23-19-21-7-5-16(24-19)15-13-22-27-17(15)3-4-18(25-27)26-8-10-28-11-9-26/h1-7,12-13H,8-11H2,(H,21,23,24)
InChIKeyRAZSXMDDUVIHMN-UHFFFAOYSA-N
XLogP2.16
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine (CID 155565334) is 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine is c1cncc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)c1.
What is the InChIKey of 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is RAZSXMDDUVIHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-2-14(12-20-6-1)23-19-21-7-5-16(24-19)15-13-22-27-17(15)3-4-18(25-27)26-8-10-28-11-9-26/h1-7,12-13H,8-11H2,(H,21,23,24).
What are the key properties of 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine?
4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 374.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 155565334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).