4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one

C22H21N5O2 — CID 146338701

IUPAC4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3ncc(-c4ccc(CN5CCOCC5)cc4)n3n2)cc[nH]1
InChIInChI=1S/C22H21N5O2/c28-22-13-18(7-8-23-22)19-5-6-21-24-14-20(27(21)25-19)17-3-1-16(2-4-17)15-26-9-11-29-12-10-26/h1-8,13-14H,9-12,15H2,(H,23,28)
InChIKeyVBXPDJATPRBJQL-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.58
Rot. Bonds4

About 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one

4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one (PubChem CID 146338701) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one
PubChem CID146338701
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3ncc(-c4ccc(CN5CCOCC5)cc4)n3n2)cc[nH]1
InChIInChI=1S/C22H21N5O2/c28-22-13-18(7-8-23-22)19-5-6-21-24-14-20(27(21)25-19)17-3-1-16(2-4-17)15-26-9-11-29-12-10-26/h1-8,13-14H,9-12,15H2,(H,23,28)
InChIKeyVBXPDJATPRBJQL-UHFFFAOYSA-N
XLogP2.58
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one (CID 146338701) is 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one is O=c1cc(-c2ccc3ncc(-c4ccc(CN5CCOCC5)cc4)n3n2)cc[nH]1.
What is the InChIKey of 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one?
The InChIKey is VBXPDJATPRBJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-22-13-18(7-8-23-22)19-5-6-21-24-14-20(27(21)25-19)17-3-1-16(2-4-17)15-26-9-11-29-12-10-26/h1-8,13-14H,9-12,15H2,(H,23,28).
What are the key properties of 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one?
4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one has a molecular weight of 387.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one is sourced from PubChem (CID 146338701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).