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

C24H20ClN5O4 — CID 129192111

IUPAC1-(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
SMILESO=C1CCc2c(Oc3ccc(O)c([C@@H]4[C@@H]5C[C@@]45NC(=O)Nc4cc(Cl)ccn4)c3)ccnc2N1
InChIInChI=1S/C24H20ClN5O4/c25-12-5-7-26-19(9-12)28-23(33)30-24-11-16(24)21(24)15-10-13(1-3-17(15)31)34-18-6-8-27-22-14(18)2-4-20(32)29-22/h1,3,5-10,16,21,31H,2,4,11H2,(H,27,29,32)(H2,26,28,30,33)/t16-,21+,24-/m0/s1
InChIKeyUBYPGIQPUJMLSG-FBOFTVOISA-N
MW477.91 g/mol
LogP4.19
Rot. Bonds5

About 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

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 (PubChem CID 129192111) has the molecular formula C24H20ClN5O4 and a molecular weight of 477.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID129192111
Molecular FormulaC24H20ClN5O4
Molecular Weight477.91 g/mol
Exact Mass477.12
IUPAC Name1-(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
SMILESO=C1CCc2c(Oc3ccc(O)c([C@@H]4[C@@H]5C[C@@]45NC(=O)Nc4cc(Cl)ccn4)c3)ccnc2N1
InChIInChI=1S/C24H20ClN5O4/c25-12-5-7-26-19(9-12)28-23(33)30-24-11-16(24)21(24)15-10-13(1-3-17(15)31)34-18-6-8-27-22-14(18)2-4-20(32)29-22/h1,3,5-10,16,21,31H,2,4,11H2,(H,27,29,32)(H2,26,28,30,33)/t16-,21+,24-/m0/s1
InChIKeyUBYPGIQPUJMLSG-FBOFTVOISA-N
XLogP4.19
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.91
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CCc2c(Oc3ccc(O)c([C@@H]4[C@@H]5C[C@@]45NC(=O)Nc4cc(Cl)ccn4)c3)ccnc2N1.
What is the InChIKey of 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?
The InChIKey is UBYPGIQPUJMLSG-FBOFTVOISA-N. The full InChI is InChI=1S/C24H20ClN5O4/c25-12-5-7-26-19(9-12)28-23(33)30-24-11-16(24)21(24)15-10-13(1-3-17(15)31)34-18-6-8-27-22-14(18)2-4-20(32)29-22/h1,3,5-10,16,21,31H,2,4,11H2,(H,27,29,32)(H2,26,28,30,33)/t16-,21+,24-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 477.91 g/mol, XLogP of 4.19, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129192111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).