1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea

C17H14N8O2 — CID 156772670

IUPAC1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea
SMILESCOC(C)c1c(NC(=O)Nc2cncc(C#N)c2)cnn2cc(C#N)nc12
InChIInChI=1S/C17H14N8O2/c1-10(27-2)15-14(8-21-25-9-13(5-19)22-16(15)25)24-17(26)23-12-3-11(4-18)6-20-7-12/h3,6-10H,1-2H3,(H2,23,24,26)
InChIKeyXOTPPTTUXFPQBZ-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea

1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea (PubChem CID 156772670) has the molecular formula C17H14N8O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea
PubChem CID156772670
Molecular FormulaC17H14N8O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea
SMILESCOC(C)c1c(NC(=O)Nc2cncc(C#N)c2)cnn2cc(C#N)nc12
InChIInChI=1S/C17H14N8O2/c1-10(27-2)15-14(8-21-25-9-13(5-19)22-16(15)25)24-17(26)23-12-3-11(4-18)6-20-7-12/h3,6-10H,1-2H3,(H2,23,24,26)
InChIKeyXOTPPTTUXFPQBZ-UHFFFAOYSA-N
XLogP2.22
TPSA141.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea with MolForge

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Related Compounds

1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 129117284
1-[8-[(1R)-1-methoxyethyl]-2-methylimidazo[1,2-b]pyridazin-7-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772553
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-3-pyridinyl]urea
CID 155708210
1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea
CID 166769846
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772508
(5-cyano-3-pyridinyl)urea
CID 159088018
1-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
CID 155202073
1-[5-bromo-4-[(1S)-1-methoxyethyl]-3-pyridinyl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155201990
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155456557
1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772694
1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-cyano-3-pyridinyl)urea
CID 121284512
1-[6-chloro-4-[(1S)-1-methoxyethyl]pyrrolo[1,2-b]pyridazin-3-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 156887027

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea?
The IUPAC name of 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea (CID 156772670) is 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea?
The canonical SMILES for 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea is COC(C)c1c(NC(=O)Nc2cncc(C#N)c2)cnn2cc(C#N)nc12.
What is the InChIKey of 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea?
The InChIKey is XOTPPTTUXFPQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O2/c1-10(27-2)15-14(8-21-25-9-13(5-19)22-16(15)25)24-17(26)23-12-3-11(4-18)6-20-7-12/h3,6-10H,1-2H3,(H2,23,24,26).
What are the key properties of 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea?
1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea has a molecular weight of 362.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea is sourced from PubChem (CID 156772670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).