4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

C20H23N5O — CID 67175287

IUPAC4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCCc1ccc(-c2c(C3CC3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C20H23N5O/c1-2-16-6-5-15(13-21-16)19-18(14-3-4-14)23-20-17(7-8-22-25(19)20)24-9-11-26-12-10-24/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyCPJRPNDRVUPBMD-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.07
Rot. Bonds4

About 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 67175287) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID67175287
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCCc1ccc(-c2c(C3CC3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C20H23N5O/c1-2-16-6-5-15(13-21-16)19-18(14-3-4-14)23-20-17(7-8-22-25(19)20)24-9-11-26-12-10-24/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyCPJRPNDRVUPBMD-UHFFFAOYSA-N
XLogP3.07
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 67175287) is 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is CCc1ccc(-c2c(C3CC3)nc3c(N4CCOCC4)ccnn23)cn1.
What is the InChIKey of 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is CPJRPNDRVUPBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-16-6-5-15(13-21-16)19-18(14-3-4-14)23-20-17(7-8-22-25(19)20)24-9-11-26-12-10-24/h5-8,13-14H,2-4,9-12H2,1H3.
What are the key properties of 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 349.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 67175287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).