methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate

C20H17N5O3 — CID 171494970

IUPACmethyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate
SMILESCOC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(OC)nc32)cc1
InChIInChI=1S/C20H17N5O3/c1-27-16-10-9-15-19(24-16)25(13-7-5-12(6-8-13)20(26)28-2)18(23-15)14-4-3-11-22-17(14)21/h3-11H,1-2H3,(H2,21,22)
InChIKeyABGIKLQSBPNUFC-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.86
Rot. Bonds4

About methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate

methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate (PubChem CID 171494970) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate
PubChem CID171494970
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Namemethyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate
SMILESCOC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(OC)nc32)cc1
InChIInChI=1S/C20H17N5O3/c1-27-16-10-9-15-19(24-16)25(13-7-5-12(6-8-13)20(26)28-2)18(23-15)14-4-3-11-22-17(14)21/h3-11H,1-2H3,(H2,21,22)
InChIKeyABGIKLQSBPNUFC-UHFFFAOYSA-N
XLogP2.86
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate with MolForge

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Related Compounds

methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
CID 177316625
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-N-methoxybenzamide
CID 171069098
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
CID 171069063
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
N-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetamide
CID 58344944
methyl 3-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methylcarbamoyl]benzoate
CID 58345192
3-[3-(4-tert-butylphenyl)-5-hydrazinylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345308
[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 174235787
4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 58345101
N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide
CID 58345295
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate?
The IUPAC name of methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate (CID 171494970) is methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate?
The canonical SMILES for methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate is COC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(OC)nc32)cc1.
What is the InChIKey of methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate?
The InChIKey is ABGIKLQSBPNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-16-10-9-15-19(24-16)25(13-7-5-12(6-8-13)20(26)28-2)18(23-15)14-4-3-11-22-17(14)21/h3-11H,1-2H3,(H2,21,22).
What are the key properties of methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate?
methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate has a molecular weight of 375.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate is sourced from PubChem (CID 171494970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).