1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea

C14H17F4N3O2 — CID 168892590

IUPAC1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea
SMILESO=C(NCc1ccnc(OC(F)F)c1)N[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C14H17F4N3O2/c15-12(16)23-11-6-9(3-5-19-11)8-20-13(22)21-10-2-1-4-14(17,18)7-10/h3,5-6,10,12H,1-2,4,7-8H2,(H2,20,21,22)/t10-/m1/s1
InChIKeyVOOOJOYTIDXKSW-SNVBAGLBSA-N
MW335.30 g/mol
LogP3.06
Rot. Bonds5

About 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea

1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea (PubChem CID 168892590) has the molecular formula C14H17F4N3O2 and a molecular weight of 335.30 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea
PubChem CID168892590
Molecular FormulaC14H17F4N3O2
Molecular Weight335.30 g/mol
Exact Mass335.13
IUPAC Name1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea
SMILESO=C(NCc1ccnc(OC(F)F)c1)N[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C14H17F4N3O2/c15-12(16)23-11-6-9(3-5-19-11)8-20-13(22)21-10-2-1-4-14(17,18)7-10/h3,5-6,10,12H,1-2,4,7-8H2,(H2,20,21,22)/t10-/m1/s1
InChIKeyVOOOJOYTIDXKSW-SNVBAGLBSA-N
XLogP3.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-spiro[3.4]octan-7-ylurea
CID 168891882
1-cyclopentyl-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;difluoromethane;molecular hydrogen
CID 168892522
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3,3-dimethylcyclobutyl)urea;molecular hydrogen
CID 168892298
1-[(1R)-3-butyl-3-fluorocyclopentyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea
CID 168892193
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(difluoromethyl)cyclobutyl]urea
CID 168892367
1-cyclopentyl-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;1,1-difluoropropan-1-ol;ethane;molecular hydrogen
CID 168892336
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
CID 168892641
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3-ethylcyclobutyl)urea
CID 168892460
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3-ethynylcyclobutyl)urea
CID 168892654
1-[(1S,5S)-2-bicyclo[3.2.0]heptanyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;molecular hydrogen
CID 168892249
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,5R,6R)-7-oxo-6-bicyclo[3.2.0]heptanyl]urea
CID 168892244
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(3-fluoro-1-bicyclo[2.1.0]pentanyl)methyl]urea
CID 168892300

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea (CID 168892590) is 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea is O=C(NCc1ccnc(OC(F)F)c1)N[C@@H]1CCCC(F)(F)C1.
What is the InChIKey of 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea?
The InChIKey is VOOOJOYTIDXKSW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F4N3O2/c15-12(16)23-11-6-9(3-5-19-11)8-20-13(22)21-10-2-1-4-14(17,18)7-10/h3,5-6,10,12H,1-2,4,7-8H2,(H2,20,21,22)/t10-/m1/s1.
What are the key properties of 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea?
1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea has a molecular weight of 335.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 168892590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).