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

C23H27N7O3 — CID 46197658

IUPAC1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESCCCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
InChIInChI=1S/C23H27N7O3/c1-5-12-30-18(13-17(29-30)23(2,3)4)26-21(31)25-14-6-8-15(9-7-14)33-16-10-11-24-20-19(16)27-22(32)28-20/h6-11,13H,5,12H2,1-4H3,(H2,25,26,31)(H2,24,27,28,32)
InChIKeyYMYKJEXCZOHXBF-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.59
Rot. Bonds6

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

1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 46197658) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID46197658
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESCCCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
InChIInChI=1S/C23H27N7O3/c1-5-12-30-18(13-17(29-30)23(2,3)4)26-21(31)25-14-6-8-15(9-7-14)33-16-10-11-24-20-19(16)27-22(32)28-20/h6-11,13H,5,12H2,1-4H3,(H2,25,26,31)(H2,24,27,28,32)
InChIKeyYMYKJEXCZOHXBF-UHFFFAOYSA-N
XLogP4.59
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The IUPAC name of 1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 46197658) is 1-(3-tert-butyl-1-propylpyrazol-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-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The canonical SMILES for 1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is CCCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1.
What is the InChIKey of 1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is YMYKJEXCZOHXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-5-12-30-18(13-17(29-30)23(2,3)4)26-21(31)25-14-6-8-15(9-7-14)33-16-10-11-24-20-19(16)27-22(32)28-20/h6-11,13H,5,12H2,1-4H3,(H2,25,26,31)(H2,24,27,28,32).
What are the key properties of 1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 449.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 46197658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).