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

C18H19BrN8O — CID 174210496

IUPAC4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(-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)
InChIKeyKURFBWWHOQEQMB-UHFFFAOYSA-N
MW443.31 g/mol
LogP2.51
Rot. Bonds3

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

4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine (PubChem CID 174210496) has the molecular formula C18H19BrN8O and a molecular weight of 443.31 g/mol. Its IUPAC name is 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 Name4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
PubChem CID174210496
Molecular FormulaC18H19BrN8O
Molecular Weight443.31 g/mol
Exact Mass442.09
IUPAC Name4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(-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)
InChIKeyKURFBWWHOQEQMB-UHFFFAOYSA-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

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Related Compounds

4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N7-(4-methylpyridin-2-yl)-N5-(pyrrolidin-3-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888631
2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 53261751
2-[4-[3-[(1R)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68289397
5-(1-methylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine
CID 68353940
2-[4-[3-[(1S)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68353991
US10772893, Example 118
CID 118890739
(4-Morpholin-4-ylphenyl)-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amine
CID 135979614
(3R)-3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 155454707
(3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 155683277
(3R)-3-methyl-4-[1-methyl-7-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-d]pyrimidin-5-yl]morpholine
CID 156404392
6-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 56658840

Frequently Asked Questions

What is the IUPAC name of 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 4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine (CID 174210496) is 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 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 4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine is CC1COCCN1c1cc(-c2ccnn2C)c2c(Br)nc(-c3ccn[nH]3)n2n1.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
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 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 174210496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).