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

C20H19F6N7O3 — CID 137377799

IUPAC1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C20H19F6N7O3/c1-10-5-12(30-31-16(10)13-9-33(2)32-17(13)20(24,25)26)8-27-18(35)28-11-6-14(19(21,22)23)29-15(7-11)36-4-3-34/h5-7,9,34H,3-4,8H2,1-2H3,(H2,27,28,29,35)
InChIKeyGCDRVAIZUBXMFH-UHFFFAOYSA-N
MW519.41 g/mol
LogP3.31
Rot. Bonds7

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

1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea (PubChem CID 137377799) has the molecular formula C20H19F6N7O3 and a molecular weight of 519.41 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
PubChem CID137377799
Molecular FormulaC20H19F6N7O3
Molecular Weight519.41 g/mol
Exact Mass519.15
IUPAC Name1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C20H19F6N7O3/c1-10-5-12(30-31-16(10)13-9-33(2)32-17(13)20(24,25)26)8-27-18(35)28-11-6-14(19(21,22)23)29-15(7-11)36-4-3-34/h5-7,9,34H,3-4,8H2,1-2H3,(H2,27,28,29,35)
InChIKeyGCDRVAIZUBXMFH-UHFFFAOYSA-N
XLogP3.31
TPSA127.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.41
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-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-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea (CID 137377799) is 1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-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-hydroxyethoxy)-6-(trifluoromethyl)-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-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea is Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The InChIKey is GCDRVAIZUBXMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N7O3/c1-10-5-12(30-31-16(10)13-9-33(2)32-17(13)20(24,25)26)8-27-18(35)28-11-6-14(19(21,22)23)29-15(7-11)36-4-3-34/h5-7,9,34H,3-4,8H2,1-2H3,(H2,27,28,29,35).
What are the key properties of 1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea has a molecular weight of 519.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea is sourced from PubChem (CID 137377799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).