1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea

C22H21N7O2 — CID 73054211

IUPAC1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1ccc(-c2cc(N3CCOCC3)c3nccn3n2)cc1)Nc1cccnc1
InChIInChI=1S/C22H21N7O2/c30-22(26-18-2-1-7-23-15-18)25-17-5-3-16(4-6-17)19-14-20(28-10-12-31-13-11-28)21-24-8-9-29(21)27-19/h1-9,14-15H,10-13H2,(H2,25,26,30)
InChIKeyPELFYEIYHAVUKB-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea

1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea (PubChem CID 73054211) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea
PubChem CID73054211
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1ccc(-c2cc(N3CCOCC3)c3nccn3n2)cc1)Nc1cccnc1
InChIInChI=1S/C22H21N7O2/c30-22(26-18-2-1-7-23-15-18)25-17-5-3-16(4-6-17)19-14-20(28-10-12-31-13-11-28)21-24-8-9-29(21)27-19/h1-9,14-15H,10-13H2,(H2,25,26,30)
InChIKeyPELFYEIYHAVUKB-UHFFFAOYSA-N
XLogP3.27
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea (CID 73054211) is 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea is O=C(Nc1ccc(-c2cc(N3CCOCC3)c3nccn3n2)cc1)Nc1cccnc1.
What is the InChIKey of 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea?
The InChIKey is PELFYEIYHAVUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c30-22(26-18-2-1-7-23-15-18)25-17-5-3-16(4-6-17)19-14-20(28-10-12-31-13-11-28)21-24-8-9-29(21)27-19/h1-9,14-15H,10-13H2,(H2,25,26,30).
What are the key properties of 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea?
1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea has a molecular weight of 415.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 73054211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).