1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea

C18H18F3N3O2 — CID 171787315

IUPAC1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCc1ccnc(OCC(F)F)c1)NC1CCc2ccc(F)cc21
InChIInChI=1S/C18H18F3N3O2/c19-13-3-1-12-2-4-15(14(12)8-13)24-18(25)23-9-11-5-6-22-17(7-11)26-10-16(20)21/h1,3,5-8,15-16H,2,4,9-10H2,(H2,23,24,25)
InChIKeyXQMYFNDJYYEFRN-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.35
Rot. Bonds6

About 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea

1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 171787315) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID171787315
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCc1ccnc(OCC(F)F)c1)NC1CCc2ccc(F)cc21
InChIInChI=1S/C18H18F3N3O2/c19-13-3-1-12-2-4-15(14(12)8-13)24-18(25)23-9-11-5-6-22-17(7-11)26-10-16(20)21/h1,3,5-8,15-16H,2,4,9-10H2,(H2,23,24,25)
InChIKeyXQMYFNDJYYEFRN-UHFFFAOYSA-N
XLogP3.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea with MolForge

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Related Compounds

1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 171787434
N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 99777136
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 171787331
1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 111106634
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 60577386
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438730
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480854
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
CID 168892641
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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea (CID 171787315) is 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea is O=C(NCc1ccnc(OCC(F)F)c1)NC1CCc2ccc(F)cc21.
What is the InChIKey of 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is XQMYFNDJYYEFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-13-3-1-12-2-4-15(14(12)8-13)24-18(25)23-9-11-5-6-22-17(7-11)26-10-16(20)21/h1,3,5-8,15-16H,2,4,9-10H2,(H2,23,24,25).
What are the key properties of 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 365.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 171787315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).