(3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine

C18H20N8O — CID 155454707

IUPAC(3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ncc(-c3ccn[nH]3)n2n1
InChIInChI=1S/C18H20N8O/c1-12-11-27-8-7-25(12)17-9-13(15-4-6-21-24(15)2)18-19-10-16(26(18)23-17)14-3-5-20-22-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyNHPCBYZJPFVBOT-GFCCVEGCSA-N
MW364.41 g/mol
LogP1.75
Rot. Bonds3

About (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine

(3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine (PubChem CID 155454707) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
PubChem CID155454707
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ncc(-c3ccn[nH]3)n2n1
InChIInChI=1S/C18H20N8O/c1-12-11-27-8-7-25(12)17-9-13(15-4-6-21-24(15)2)18-19-10-16(26(18)23-17)14-3-5-20-22-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyNHPCBYZJPFVBOT-GFCCVEGCSA-N
XLogP1.75
TPSA89.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine (CID 155454707) is (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine is C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ncc(-c3ccn[nH]3)n2n1.
What is the InChIKey of (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The InChIKey is NHPCBYZJPFVBOT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N8O/c1-12-11-27-8-7-25(12)17-9-13(15-4-6-21-24(15)2)18-19-10-16(26(18)23-17)14-3-5-20-22-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
(3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine has a molecular weight of 364.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 155454707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).