1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea

C25H20F2N4O4 — CID 129191935

IUPAC1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea
SMILESO=C1CCc2c(Oc3ccc(O)c([C@@H]4[C@@H]5C[C@@]45NC(=O)Nc4cc(F)ccc4F)c3)ccnc2N1
InChIInChI=1S/C25H20F2N4O4/c26-12-1-4-17(27)18(9-12)29-24(34)31-25-11-16(25)22(25)15-10-13(2-5-19(15)32)35-20-7-8-28-23-14(20)3-6-21(33)30-23/h1-2,4-5,7-10,16,22,32H,3,6,11H2,(H,28,30,33)(H2,29,31,34)/t16-,22+,25-/m0/s1
InChIKeyANEDLGBFBUDIGW-HKFAVZMWSA-N
MW478.46 g/mol
LogP4.42
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea

1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea (PubChem CID 129191935) has the molecular formula C25H20F2N4O4 and a molecular weight of 478.46 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea
PubChem CID129191935
Molecular FormulaC25H20F2N4O4
Molecular Weight478.46 g/mol
Exact Mass478.15
IUPAC Name1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea
SMILESO=C1CCc2c(Oc3ccc(O)c([C@@H]4[C@@H]5C[C@@]45NC(=O)Nc4cc(F)ccc4F)c3)ccnc2N1
InChIInChI=1S/C25H20F2N4O4/c26-12-1-4-17(27)18(9-12)29-24(34)31-25-11-16(25)22(25)15-10-13(2-5-19(15)32)35-20-7-8-28-23-14(20)3-6-21(33)30-23/h1-2,4-5,7-10,16,22,32H,3,6,11H2,(H,28,30,33)(H2,29,31,34)/t16-,22+,25-/m0/s1
InChIKeyANEDLGBFBUDIGW-HKFAVZMWSA-N
XLogP4.42
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea with MolForge

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Related Compounds

1-(4-chloro-2-pyridinyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea
CID 129192111
1-cyclopropyl-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea
CID 130330655
1-(3,4-dichlorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea
CID 129192131
1-[2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 134350067
1-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]-3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]urea
CID 129191989
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(2-oxo-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-5-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea
CID 147615250
5-[3-[(1S,2S,3S)-1-[(cyclohexylamino)methylamino]-2-bicyclo[1.1.0]butanyl]-4-hydroxyphenoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 129192112
ethyl (1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]bicyclo[1.1.0]butane-1-carboxylate
CID 129189492
1-[(1R,1aS,6bS)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)urea
CID 90469003
1-[5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,3,5-trifluorophenyl)urea
CID 123412489
ethyl (1R,2R,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-3-methylcyclopropane-1-carboxylate
CID 149053034
1-[(1R,2S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]cyclobutyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
CID 162570273

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea (CID 129191935) is 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea is O=C1CCc2c(Oc3ccc(O)c([C@@H]4[C@@H]5C[C@@]45NC(=O)Nc4cc(F)ccc4F)c3)ccnc2N1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea?
The InChIKey is ANEDLGBFBUDIGW-HKFAVZMWSA-N. The full InChI is InChI=1S/C25H20F2N4O4/c26-12-1-4-17(27)18(9-12)29-24(34)31-25-11-16(25)22(25)15-10-13(2-5-19(15)32)35-20-7-8-28-23-14(20)3-6-21(33)30-23/h1-2,4-5,7-10,16,22,32H,3,6,11H2,(H,28,30,33)(H2,29,31,34)/t16-,22+,25-/m0/s1.
What are the key properties of 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea?
1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea has a molecular weight of 478.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea is sourced from PubChem (CID 129191935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).