1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea

C20H20F5N7O2 — CID 137377906

IUPAC1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
SMILESCc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(OCC(F)F)n1
InChIInChI=1S/C20H20F5N7O2/c1-10-4-13(29-30-17(10)14-8-32(3)31-18(14)20(23,24)25)7-26-19(33)28-12-5-11(2)27-16(6-12)34-9-15(21)22/h4-6,8,15H,7,9H2,1-3H3,(H2,26,27,28,33)
InChIKeyIAIHBPRURDAXLE-UHFFFAOYSA-N
MW485.42 g/mol
LogP3.87
Rot. Bonds7

About 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea

1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea (PubChem CID 137377906) has the molecular formula C20H20F5N7O2 and a molecular weight of 485.42 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
PubChem CID137377906
Molecular FormulaC20H20F5N7O2
Molecular Weight485.42 g/mol
Exact Mass485.16
IUPAC Name1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
SMILESCc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(OCC(F)F)n1
InChIInChI=1S/C20H20F5N7O2/c1-10-4-13(29-30-17(10)14-8-32(3)31-18(14)20(23,24)25)7-26-19(33)28-12-5-11(2)27-16(6-12)34-9-15(21)22/h4-6,8,15H,7,9H2,1-3H3,(H2,26,27,28,33)
InChIKeyIAIHBPRURDAXLE-UHFFFAOYSA-N
XLogP3.87
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea with MolForge

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Related Compounds

1-(2-Ethoxy-6-(trifluoromethyl)pyridin-4-yl)-3-((5-methyl-6-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyridazin-3-yl)methyl)urea
CID 137377911
1-(6-Cyano-2-ethoxy-3-methylpyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377731
1-(6-Chloro-2-ethoxy-3-methylpyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377828
1-(2-Chloro-6-ethoxypyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377865
1-(3-Chloro-2-ethoxy-6-methylpyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377874
1-(2-Chloro-6-ethoxy-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
CID 164626769
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
1-[2-[2-(2-Ethylphenyl)-5-methylpyrazol-3-yl]oxypyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 24960128
1-(2-Cyano-6-ethoxypyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377721
1-[2-(2-Hydroxyethoxy)-3-methyl-6-(trifluoromethyl)pyridin-4-yl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377728
1-(2-Ethoxy-6-methylpyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377733
1-(2-Ethoxy-3,6-dimethylpyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377763

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea (CID 137377906) is 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea is Cc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(OCC(F)F)n1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The InChIKey is IAIHBPRURDAXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N7O2/c1-10-4-13(29-30-17(10)14-8-32(3)31-18(14)20(23,24)25)7-26-19(33)28-12-5-11(2)27-16(6-12)34-9-15(21)22/h4-6,8,15H,7,9H2,1-3H3,(H2,26,27,28,33).
What are the key properties of 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea has a molecular weight of 485.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea is sourced from PubChem (CID 137377906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).