methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate

C23H20N4O4 — CID 175641787

IUPACmethyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2cnc3c(c2)ncn3Cc2ccccc2)cc1
InChIInChI=1S/C23H20N4O4/c1-30-21(28)14-31-19-9-7-18(8-10-19)26-23(29)17-11-20-22(24-12-17)27(15-25-20)13-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,26,29)
InChIKeyBVUOAZPLTAOLKV-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.28
Rot. Bonds7

About methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate

methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate (PubChem CID 175641787) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate
PubChem CID175641787
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Namemethyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2cnc3c(c2)ncn3Cc2ccccc2)cc1
InChIInChI=1S/C23H20N4O4/c1-30-21(28)14-31-19-9-7-18(8-10-19)26-23(29)17-11-20-22(24-12-17)27(15-25-20)13-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,26,29)
InChIKeyBVUOAZPLTAOLKV-UHFFFAOYSA-N
XLogP3.28
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320
3-[(4-bromophenyl)methyl]-4-oxo-N-(4-phenylmethoxyphenyl)quinazoline-7-carboxamide
CID 139779531
4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
CID 139779480
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate
CID 55708999
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
methyl 2-[4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]phenoxy]acetate
CID 4581069
(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 176501949
3-benzyl-N-propyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503111
2-(4-benzamidophenoxy)acetic acid
CID 3830392
5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
CID 22923804

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate (CID 175641787) is methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2cnc3c(c2)ncn3Cc2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate?
The InChIKey is BVUOAZPLTAOLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-30-21(28)14-31-19-9-7-18(8-10-19)26-23(29)17-11-20-22(24-12-17)27(15-25-20)13-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,26,29).
What are the key properties of methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate?
methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate has a molecular weight of 416.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 175641787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).