1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea

C17H13ClF3N7O — CID 156772508

IUPAC1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCC(C)c1c(NC(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)cnn2cc(Cl)nc12
InChIInChI=1S/C17H13ClF3N7O/c1-8(2)14-12(6-24-28-7-13(18)27-15(14)28)26-16(29)25-9-3-10(17(19,20)21)11(4-22)23-5-9/h3,5-8H,1-2H3,(H2,25,26,29)
InChIKeyNHNYLBBBYQXUPE-UHFFFAOYSA-N
MW423.79 g/mol
LogP4.44
Rot. Bonds3

About 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea

1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 156772508) has the molecular formula C17H13ClF3N7O and a molecular weight of 423.79 g/mol. Its IUPAC name is 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID156772508
Molecular FormulaC17H13ClF3N7O
Molecular Weight423.79 g/mol
Exact Mass423.08
IUPAC Name1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCC(C)c1c(NC(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)cnn2cc(Cl)nc12
InChIInChI=1S/C17H13ClF3N7O/c1-8(2)14-12(6-24-28-7-13(18)27-15(14)28)26-16(29)25-9-3-10(17(19,20)21)11(4-22)23-5-9/h3,5-8H,1-2H3,(H2,25,26,29)
InChIKeyNHNYLBBBYQXUPE-UHFFFAOYSA-N
XLogP4.44
TPSA108.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.79
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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-(8-butan-2-yl-2-chloroimidazo[1,2-b]pyridazin-7-yl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 156772613
1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea
CID 156772689
[2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea
CID 166791947
(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide
CID 153366038
1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
CID 156772569
1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea
CID 156772670
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide
CID 137445272
1-(2-chloro-8-ethoxyimidazo[1,2-b]pyridazin-7-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155456680
ethane;5-propan-2-yl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 177335328
N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]-4-methoxybenzamide
CID 172821541

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea (CID 156772508) is 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea is CC(C)c1c(NC(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)cnn2cc(Cl)nc12.
What is the InChIKey of 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is NHNYLBBBYQXUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N7O/c1-8(2)14-12(6-24-28-7-13(18)27-15(14)28)26-16(29)25-9-3-10(17(19,20)21)11(4-22)23-5-9/h3,5-8H,1-2H3,(H2,25,26,29).
What are the key properties of 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea?
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 423.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 156772508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).