1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

C23H18ClN7O3 — CID 46197772

IUPAC1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClN7O3/c1-13-12-19(31(30-13)16-6-2-14(24)3-7-16)27-22(32)26-15-4-8-17(9-5-15)34-18-10-11-25-21-20(18)28-23(33)29-21/h2-12H,1H3,(H2,26,27,32)(H2,25,28,29,33)
InChIKeyQLIFQCWLLNQMKC-UHFFFAOYSA-N
MW475.90 g/mol
LogP4.84
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 46197772) has the molecular formula C23H18ClN7O3 and a molecular weight of 475.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID46197772
Molecular FormulaC23H18ClN7O3
Molecular Weight475.90 g/mol
Exact Mass475.12
IUPAC Name1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClN7O3/c1-13-12-19(31(30-13)16-6-2-14(24)3-7-16)27-22(32)26-15-4-8-17(9-5-15)34-18-10-11-25-21-20(18)28-23(33)29-21/h2-12H,1H3,(H2,26,27,32)(H2,25,28,29,33)
InChIKeyQLIFQCWLLNQMKC-UHFFFAOYSA-N
XLogP4.84
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.90
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 46197772) is 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is Cc1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is QLIFQCWLLNQMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O3/c1-13-12-19(31(30-13)16-6-2-14(24)3-7-16)27-22(32)26-15-4-8-17(9-5-15)34-18-10-11-25-21-20(18)28-23(33)29-21/h2-12H,1H3,(H2,26,27,32)(H2,25,28,29,33).
What are the key properties of 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 475.90 g/mol, XLogP of 4.84, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 46197772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).