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

C22H21F6N7O2 — CID 151858427

IUPAC1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
SMILESCOc1nc(C2CC2)c(C(F)(F)F)cc1NC(=O)NCc1cc(C)c(-c2cn(C)nc2C(F)(F)F)nn1
InChIInChI=1S/C22H21F6N7O2/c1-10-6-12(32-33-16(10)13-9-35(2)34-18(13)22(26,27)28)8-29-20(36)30-15-7-14(21(23,24)25)17(11-4-5-11)31-19(15)37-3/h6-7,9,11H,4-5,8H2,1-3H3,(H2,29,30,36)
InChIKeySKENBPSRTFSTBJ-UHFFFAOYSA-N
MW529.45 g/mol
LogP4.83
Rot. Bonds6

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

1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea (PubChem CID 151858427) has the molecular formula C22H21F6N7O2 and a molecular weight of 529.45 g/mol. Its IUPAC name is 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
PubChem CID151858427
Molecular FormulaC22H21F6N7O2
Molecular Weight529.45 g/mol
Exact Mass529.17
IUPAC Name1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
SMILESCOc1nc(C2CC2)c(C(F)(F)F)cc1NC(=O)NCc1cc(C)c(-c2cn(C)nc2C(F)(F)F)nn1
InChIInChI=1S/C22H21F6N7O2/c1-10-6-12(32-33-16(10)13-9-35(2)34-18(13)22(26,27)28)8-29-20(36)30-15-7-14(21(23,24)25)17(11-4-5-11)31-19(15)37-3/h6-7,9,11H,4-5,8H2,1-3H3,(H2,29,30,36)
InChIKeySKENBPSRTFSTBJ-UHFFFAOYSA-N
XLogP4.83
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-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-(3-chloro-2-ethoxy-6-methyl-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377874
1-[2-ethoxy-3-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377879
1-[2-chloro-6-(2-methoxyethoxy)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377912
1-(2-chloro-4-pyridinyl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377798
1-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]-3-[2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)-4-pyridinyl]urea
CID 137377835
1-[6-(cyclopropylmethoxy)-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377746
1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 146129965
1-[2-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]-4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]butan-2-ol;difluoromethane;hydrofluoride
CID 161050931
1-(2,6-dimethyl-4-pyridinyl)-3-[[5-methyl-6-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377788
1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 138025070
[6-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-5-methylpyridazin-3-yl]methanamine
CID 145361024
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167856488

Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The IUPAC name of 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea (CID 151858427) is 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea.
What is the SMILES notation for 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The canonical SMILES for 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea is COc1nc(C2CC2)c(C(F)(F)F)cc1NC(=O)NCc1cc(C)c(-c2cn(C)nc2C(F)(F)F)nn1.
What is the InChIKey of 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
The InChIKey is SKENBPSRTFSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6N7O2/c1-10-6-12(32-33-16(10)13-9-35(2)34-18(13)22(26,27)28)8-29-20(36)30-15-7-14(21(23,24)25)17(11-4-5-11)31-19(15)37-3/h6-7,9,11H,4-5,8H2,1-3H3,(H2,29,30,36).
What are the key properties of 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea?
1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea has a molecular weight of 529.45 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopropyl-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea is sourced from PubChem (CID 151858427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).