tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate

C24H24N4O4 — CID 178120449

IUPACtert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
SMILESCc1cc(-c2nc3cccnc3n2-c2ccc(NC(=O)OC(C)(C)C)cc2)c(O)cc1O
InChIInChI=1S/C24H24N4O4/c1-14-12-17(20(30)13-19(14)29)21-27-18-6-5-11-25-22(18)28(21)16-9-7-15(8-10-16)26-23(31)32-24(2,3)4/h5-13,29-30H,1-4H3,(H,26,31)
InChIKeyWJQFNVYYQMNLFM-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.15
Rot. Bonds3

About tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate

tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate (PubChem CID 178120449) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
PubChem CID178120449
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Nametert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
SMILESCc1cc(-c2nc3cccnc3n2-c2ccc(NC(=O)OC(C)(C)C)cc2)c(O)cc1O
InChIInChI=1S/C24H24N4O4/c1-14-12-17(20(30)13-19(14)29)21-27-18-6-5-11-25-22(18)28(21)16-9-7-15(8-10-16)26-23(31)32-24(2,3)4/h5-13,29-30H,1-4H3,(H,26,31)
InChIKeyWJQFNVYYQMNLFM-UHFFFAOYSA-N
XLogP5.15
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[3-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
CID 178120469
4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol
CID 178120438
N-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetamide
CID 58344944
4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol
CID 178120474
[4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea
CID 58317775
tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate
CID 71565405
1-[2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 175221672
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 58345101
tert-butyl N-[4-[(E)-3-(3-methyl-2-pyridinyl)-3-oxoprop-1-enyl]phenyl]carbamate
CID 154644634
tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate
CID 18619647
tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
CID 67962185

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate (CID 178120449) is tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate is Cc1cc(-c2nc3cccnc3n2-c2ccc(NC(=O)OC(C)(C)C)cc2)c(O)cc1O.
What is the InChIKey of tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate?
The InChIKey is WJQFNVYYQMNLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-14-12-17(20(30)13-19(14)29)21-27-18-6-5-11-25-22(18)28(21)16-9-7-15(8-10-16)26-23(31)32-24(2,3)4/h5-13,29-30H,1-4H3,(H,26,31).
What are the key properties of tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate?
tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate has a molecular weight of 432.48 g/mol, XLogP of 5.15, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate is sourced from PubChem (CID 178120449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).