1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

C24H25N5O3 — CID 42626338

IUPAC1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESCn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)Nc4cccc(C(C)(C)C)c4)cc3)c21
InChIInChI=1S/C24H25N5O3/c1-24(2,3)15-6-5-7-17(14-15)27-22(30)26-16-8-10-18(11-9-16)32-19-12-13-25-21-20(19)29(4)23(31)28-21/h5-14H,1-4H3,(H,25,28,31)(H2,26,27,30)
InChIKeyJGNQOPPOBDRBEQ-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.00
Rot. Bonds4

About 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 42626338) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID42626338
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESCn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)Nc4cccc(C(C)(C)C)c4)cc3)c21
InChIInChI=1S/C24H25N5O3/c1-24(2,3)15-6-5-7-17(14-15)27-22(30)26-16-8-10-18(11-9-16)32-19-12-13-25-21-20(19)29(4)23(31)28-21/h5-14H,1-4H3,(H,25,28,31)(H2,26,27,30)
InChIKeyJGNQOPPOBDRBEQ-UHFFFAOYSA-N
XLogP5.00
TPSA101.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The IUPAC name of 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 42626338) is 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The canonical SMILES for 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is Cn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)Nc4cccc(C(C)(C)C)c4)cc3)c21.
What is the InChIKey of 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is JGNQOPPOBDRBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-24(2,3)15-6-5-7-17(14-15)27-22(30)26-16-8-10-18(11-9-16)32-19-12-13-25-21-20(19)29(4)23(31)28-21/h5-14H,1-4H3,(H,25,28,31)(H2,26,27,30).
What are the key properties of 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 431.50 g/mol, XLogP of 5.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 42626338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).