1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

C26H23N7O3 — CID 89128476

IUPAC1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESC=C(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C26H23N7O3/c1-15(2)20-14-22(33(32-20)18-8-4-16(3)5-9-18)29-25(34)28-17-6-10-19(11-7-17)36-21-12-13-27-24-23(21)30-26(35)31-24/h4-14H,1H2,2-3H3,(H2,28,29,34)(H2,27,30,31,35)
InChIKeyRCPRKEPHVCEEBS-UHFFFAOYSA-N
MW481.52 g/mol
LogP5.21
Rot. Bonds6

About 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 89128476) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID89128476
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESC=C(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C26H23N7O3/c1-15(2)20-14-22(33(32-20)18-8-4-16(3)5-9-18)29-25(34)28-17-6-10-19(11-7-17)36-21-12-13-27-24-23(21)30-26(35)31-24/h4-14H,1H2,2-3H3,(H2,28,29,34)(H2,27,30,31,35)
InChIKeyRCPRKEPHVCEEBS-UHFFFAOYSA-N
XLogP5.21
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 55.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 45141107
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 147730305
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-fluoro-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 46196677
1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 123314936
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198208
N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11947961
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)sulfanyl]phenyl]urea
CID 46197111
1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea
CID 67962297
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198207
N-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-3-(methylamino)-2-pyridinyl]formamide
CID 138600851
1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 137301436
1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 143465784

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The IUPAC name of 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 89128476) is 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The canonical SMILES for 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is C=C(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(-c2ccc(C)cc2)n1.
What is the InChIKey of 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is RCPRKEPHVCEEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c1-15(2)20-14-22(33(32-20)18-8-4-16(3)5-9-18)29-25(34)28-17-6-10-19(11-7-17)36-21-12-13-27-24-23(21)30-26(35)31-24/h4-14H,1H2,2-3H3,(H2,28,29,34)(H2,27,30,31,35).
What are the key properties of 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 481.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 89128476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).