1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea

C17H17N7O2 — CID 58243105

IUPAC1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(Nc3cccc(C4=CNCO4)c3)ccc2n1
InChIInChI=1S/C17H17N7O2/c1-18-17(25)22-15-9-24-16(21-15)6-5-14(23-24)20-12-4-2-3-11(7-12)13-8-19-10-26-13/h2-9,19H,10H2,1H3,(H,20,23)(H2,18,22,25)
InChIKeyHEMMIUCGYMVSJP-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.10
Rot. Bonds4

About 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea

1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea (PubChem CID 58243105) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
PubChem CID58243105
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(Nc3cccc(C4=CNCO4)c3)ccc2n1
InChIInChI=1S/C17H17N7O2/c1-18-17(25)22-15-9-24-16(21-15)6-5-14(23-24)20-12-4-2-3-11(7-12)13-8-19-10-26-13/h2-9,19H,10H2,1H3,(H,20,23)(H2,18,22,25)
InChIKeyHEMMIUCGYMVSJP-UHFFFAOYSA-N
XLogP2.10
TPSA104.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The IUPAC name of 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea (CID 58243105) is 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The canonical SMILES for 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea is CNC(=O)Nc1cn2nc(Nc3cccc(C4=CNCO4)c3)ccc2n1.
What is the InChIKey of 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The InChIKey is HEMMIUCGYMVSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-18-17(25)22-15-9-24-16(21-15)6-5-14(23-24)20-12-4-2-3-11(7-12)13-8-19-10-26-13/h2-9,19H,10H2,1H3,(H,20,23)(H2,18,22,25).
What are the key properties of 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea has a molecular weight of 351.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea is sourced from PubChem (CID 58243105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).