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

C20H24N8O — CID 169096561

IUPAC(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
SMILESCCn1nccc1-c1cc(N2CCOC[C@H]2C)nn2c(-c3ccn[nH]3)nc(C)c12
InChIInChI=1S/C20H24N8O/c1-4-27-17(6-8-22-27)15-11-18(26-9-10-29-12-13(26)2)25-28-19(15)14(3)23-20(28)16-5-7-21-24-16/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyWNJJTPNCMZPXDC-CYBMUJFWSA-N
MW392.47 g/mol
LogP2.54
Rot. Bonds4

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

(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine (PubChem CID 169096561) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is (3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
PubChem CID169096561
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
SMILESCCn1nccc1-c1cc(N2CCOC[C@H]2C)nn2c(-c3ccn[nH]3)nc(C)c12
InChIInChI=1S/C20H24N8O/c1-4-27-17(6-8-22-27)15-11-18(26-9-10-29-12-13(26)2)25-28-19(15)14(3)23-20(28)16-5-7-21-24-16/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyWNJJTPNCMZPXDC-CYBMUJFWSA-N
XLogP2.54
TPSA89.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine
CID 174205521
(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825
(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 155454721
(3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine
CID 163283575
(3R)-4-[4-(3,5-dimethyltriazol-4-yl)-5-methyl-7-(1H-pyrrol-2-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170219728
N-[1-[4-(2-ethylpyrazol-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 169096546
N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 174210593
4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine
CID 174206075
(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 151175498
4-[8-cyclohexyl-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine
CID 155454521
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 163822192

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine (CID 169096561) is (3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine is CCn1nccc1-c1cc(N2CCOC[C@H]2C)nn2c(-c3ccn[nH]3)nc(C)c12.
What is the InChIKey of (3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
The InChIKey is WNJJTPNCMZPXDC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N8O/c1-4-27-17(6-8-22-27)15-11-18(26-9-10-29-12-13(26)2)25-28-19(15)14(3)23-20(28)16-5-7-21-24-16/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine has a molecular weight of 392.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 169096561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).