1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea

C16H15F3N6O2 — CID 155456687

IUPAC1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
SMILESCOC(C)c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnn2ccnc12
InChIInChI=1S/C16H15F3N6O2/c1-9(27-2)13-11(8-22-25-6-5-21-14(13)25)24-15(26)23-10-3-4-20-12(7-10)16(17,18)19/h3-9H,1-2H3,(H2,20,23,24,26)
InChIKeyXILDGFSKGHBVCY-UHFFFAOYSA-N
MW380.33 g/mol
LogP3.49
Rot. Bonds4

About 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea

1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea (PubChem CID 155456687) has the molecular formula C16H15F3N6O2 and a molecular weight of 380.33 g/mol. Its IUPAC name is 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea.

Molecular Properties

Compound Name1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
PubChem CID155456687
Molecular FormulaC16H15F3N6O2
Molecular Weight380.33 g/mol
Exact Mass380.12
IUPAC Name1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
SMILESCOC(C)c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnn2ccnc12
InChIInChI=1S/C16H15F3N6O2/c1-9(27-2)13-11(8-22-25-6-5-21-14(13)25)24-15(26)23-10-3-4-20-12(7-10)16(17,18)19/h3-9H,1-2H3,(H2,20,23,24,26)
InChIKeyXILDGFSKGHBVCY-UHFFFAOYSA-N
XLogP3.49
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-chloro-4-[(1S)-1-methoxyethyl]pyrrolo[1,2-b]pyridazin-3-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 156887027
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-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 156772632
1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea
CID 156772670
N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
CID 114270139
1-[6-(tert-butylamino)-5-methoxy-4-(1-methoxyethyl)-3-pyridinyl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 155202202
1-[2-chloro-7-[methoxy(oxan-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 118540155
1-[4-(1-methoxyethyl)-5-methyl-6-oxo-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772591
[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea
CID 156887174
(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
CID 122049884
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772508
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(difluoromethyl)-4-pyridinyl]urea
CID 118540207

Frequently Asked Questions

What is the IUPAC name of 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea?
The IUPAC name of 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea (CID 155456687) is 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea.
What is the SMILES notation for 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea?
The canonical SMILES for 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea is COC(C)c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnn2ccnc12.
What is the InChIKey of 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea?
The InChIKey is XILDGFSKGHBVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2/c1-9(27-2)13-11(8-22-25-6-5-21-14(13)25)24-15(26)23-10-3-4-20-12(7-10)16(17,18)19/h3-9H,1-2H3,(H2,20,23,24,26).
What are the key properties of 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea?
1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea has a molecular weight of 380.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea is sourced from PubChem (CID 155456687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).