(3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine

C18H19BrN8O — CID 167137453

IUPAC(3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2c(Br)nc(-c3ccn[nH]3)n2n1
InChIInChI=1S/C18H19BrN8O/c1-11-10-28-8-7-26(11)15-9-12(14-4-6-21-25(14)2)16-17(19)22-18(27(16)24-15)13-3-5-20-23-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyKURFBWWHOQEQMB-LLVKDONJSA-N
MW443.31 g/mol
LogP2.51
Rot. Bonds3

About (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine

(3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine (PubChem CID 167137453) has the molecular formula C18H19BrN8O and a molecular weight of 443.31 g/mol. Its IUPAC name is (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
PubChem CID167137453
Molecular FormulaC18H19BrN8O
Molecular Weight443.31 g/mol
Exact Mass442.09
IUPAC Name(3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2c(Br)nc(-c3ccn[nH]3)n2n1
InChIInChI=1S/C18H19BrN8O/c1-11-10-28-8-7-26(11)15-9-12(14-4-6-21-25(14)2)16-17(19)22-18(27(16)24-15)13-3-5-20-23-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyKURFBWWHOQEQMB-LLVKDONJSA-N
XLogP2.51
TPSA89.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine (CID 167137453) is (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2c(Br)nc(-c3ccn[nH]3)n2n1.
What is the InChIKey of (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
The InChIKey is KURFBWWHOQEQMB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19BrN8O/c1-11-10-28-8-7-26(11)15-9-12(14-4-6-21-25(14)2)16-17(19)22-18(27(16)24-15)13-3-5-20-23-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
(3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine has a molecular weight of 443.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 167137453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).