1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea

C15H17F6N3O3 — CID 168955826

IUPAC1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea
SMILESCOC[C@@H](Oc1cc(CNC(=O)NC2CC2C(F)(F)F)ccn1)C(F)(F)F
InChIInChI=1S/C15H17F6N3O3/c1-26-7-11(15(19,20)21)27-12-4-8(2-3-22-12)6-23-13(25)24-10-5-9(10)14(16,17)18/h2-4,9-11H,5-7H2,1H3,(H2,23,24,25)/t9?,10?,11-/m1/s1
InChIKeyXROFGKWJOJZDPM-VQXHTEKXSA-N
MW401.31 g/mol
LogP2.79
Rot. Bonds7

About 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea

1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea (PubChem CID 168955826) has the molecular formula C15H17F6N3O3 and a molecular weight of 401.31 g/mol. Its IUPAC name is 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea
PubChem CID168955826
Molecular FormulaC15H17F6N3O3
Molecular Weight401.31 g/mol
Exact Mass401.12
IUPAC Name1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea
SMILESCOC[C@@H](Oc1cc(CNC(=O)NC2CC2C(F)(F)F)ccn1)C(F)(F)F
InChIInChI=1S/C15H17F6N3O3/c1-26-7-11(15(19,20)21)27-12-4-8(2-3-22-12)6-23-13(25)24-10-5-9(10)14(16,17)18/h2-4,9-11H,5-7H2,1H3,(H2,23,24,25)/t9?,10?,11-/m1/s1
InChIKeyXROFGKWJOJZDPM-VQXHTEKXSA-N
XLogP2.79
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(trifluoromethyl)cyclobutyl]-3-[[2-(1,1,1-trifluoropropan-2-yloxy)-4-pyridinyl]methyl]urea
CID 168892368
[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine
CID 168955789
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
CID 168892641
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(difluoromethyl)cyclobutyl]urea
CID 168892367
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3-ethylcyclobutyl)urea
CID 168892460
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3,3-dimethylcyclobutyl)urea;molecular hydrogen
CID 168892298
1-cyclopentyl-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;difluoromethane;molecular hydrogen
CID 168892522
1-[(1S,5S)-2-bicyclo[3.2.0]heptanyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;molecular hydrogen
CID 168892249
1-cyclopentyl-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;1,1-difluoropropan-1-ol;ethane;molecular hydrogen
CID 168892336
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3-ethynylcyclobutyl)urea
CID 168892654
1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea
CID 168955772

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea?
The IUPAC name of 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea (CID 168955826) is 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea.
What is the SMILES notation for 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea?
The canonical SMILES for 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea is COC[C@@H](Oc1cc(CNC(=O)NC2CC2C(F)(F)F)ccn1)C(F)(F)F.
What is the InChIKey of 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea?
The InChIKey is XROFGKWJOJZDPM-VQXHTEKXSA-N. The full InChI is InChI=1S/C15H17F6N3O3/c1-26-7-11(15(19,20)21)27-12-4-8(2-3-22-12)6-23-13(25)24-10-5-9(10)14(16,17)18/h2-4,9-11H,5-7H2,1H3,(H2,23,24,25)/t9?,10?,11-/m1/s1.
What are the key properties of 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea?
1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea has a molecular weight of 401.31 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea is sourced from PubChem (CID 168955826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).