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

C22H24F3N7O2 — CID 137377723

IUPAC1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
SMILESCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C2CC2)n1
InChIInChI=1S/C22H24F3N7O2/c1-4-34-18-9-14(8-17(28-18)13-5-6-13)27-21(33)26-10-15-7-12(2)19(30-29-15)16-11-32(3)31-20(16)22(23,24)25/h7-9,11,13H,4-6,10H2,1-3H3,(H2,26,27,28,33)
InChIKeyIRMVPFLOHLAZDY-UHFFFAOYSA-N
MW475.48 g/mol
LogP4.20
Rot. Bonds7

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

1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea (PubChem CID 137377723) has the molecular formula C22H24F3N7O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
PubChem CID137377723
Molecular FormulaC22H24F3N7O2
Molecular Weight475.48 g/mol
Exact Mass475.19
IUPAC Name1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
SMILESCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C2CC2)n1
InChIInChI=1S/C22H24F3N7O2/c1-4-34-18-9-14(8-17(28-18)13-5-6-13)27-21(33)26-10-15-7-12(2)19(30-29-15)16-11-32(3)31-20(16)22(23,24)25/h7-9,11,13H,4-6,10H2,1-3H3,(H2,26,27,28,33)
InChIKeyIRMVPFLOHLAZDY-UHFFFAOYSA-N
XLogP4.20
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The IUPAC name of 1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea (CID 137377723) is 1-(2-cyclopropyl-6-ethoxy-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-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea is CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The InChIKey is IRMVPFLOHLAZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O2/c1-4-34-18-9-14(8-17(28-18)13-5-6-13)27-21(33)26-10-15-7-12(2)19(30-29-15)16-11-32(3)31-20(16)22(23,24)25/h7-9,11,13H,4-6,10H2,1-3H3,(H2,26,27,28,33).
What are the key properties of 1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea has a molecular weight of 475.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-ethoxy-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea is sourced from PubChem (CID 137377723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).