4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine

C21H27ClN6O2 — CID 58496301

IUPAC4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCOC(C)(C)Cn1cc(-c2c(C3CC3)nc3c(N4CCOCC4)cc(Cl)nn23)cn1
InChIInChI=1S/C21H27ClN6O2/c1-21(2,29-3)13-27-12-15(11-23-27)19-18(14-4-5-14)24-20-16(10-17(22)25-28(19)20)26-6-8-30-9-7-26/h10-12,14H,4-9,13H2,1-3H3
InChIKeyGEJVCDPLJCWOSC-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.39
Rot. Bonds6

About 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine

4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 58496301) has the molecular formula C21H27ClN6O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID58496301
Molecular FormulaC21H27ClN6O2
Molecular Weight430.94 g/mol
Exact Mass430.19
IUPAC Name4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCOC(C)(C)Cn1cc(-c2c(C3CC3)nc3c(N4CCOCC4)cc(Cl)nn23)cn1
InChIInChI=1S/C21H27ClN6O2/c1-21(2,29-3)13-27-12-15(11-23-27)19-18(14-4-5-14)24-20-16(10-17(22)25-28(19)20)26-6-8-30-9-7-26/h10-12,14H,4-9,13H2,1-3H3
InChIKeyGEJVCDPLJCWOSC-UHFFFAOYSA-N
XLogP3.39
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 58496301) is 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine is COC(C)(C)Cn1cc(-c2c(C3CC3)nc3c(N4CCOCC4)cc(Cl)nn23)cn1.
What is the InChIKey of 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is GEJVCDPLJCWOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O2/c1-21(2,29-3)13-27-12-15(11-23-27)19-18(14-4-5-14)24-20-16(10-17(22)25-28(19)20)26-6-8-30-9-7-26/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 430.94 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 58496301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).