(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate

C14H11N3O2 — CID 53322367

IUPAC(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate
SMILESCn1cnc2cc(OC(=O)c3ccccc3)cnc21
InChIInChI=1S/C14H11N3O2/c1-17-9-16-12-7-11(8-15-13(12)17)19-14(18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyKAEOHXDNBGUDHW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.19
Rot. Bonds2

About (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate

(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate (PubChem CID 53322367) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate.

Molecular Properties

Compound Name(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate
PubChem CID53322367
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate
SMILESCn1cnc2cc(OC(=O)c3ccccc3)cnc21
InChIInChI=1S/C14H11N3O2/c1-17-9-16-12-7-11(8-15-13(12)17)19-14(18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyKAEOHXDNBGUDHW-UHFFFAOYSA-N
XLogP2.19
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Sch 28080
CID 108137
3-((6-((3,5-Dimethylpyridin-2-yl)oxy)-1-methyl-1H-benzo[d]imidazol-2-yl)methoxy)benzoic acid
CID 46908905
Indole chloropyridinyl-ester derived, 7k
CID 156907348
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
3-(7-Methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 830970
4-((Imidazo(1,2-a)pyridin-2-yl)methoxy)benzoic acid
CID 1278630
3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552744
4-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
CID 739244
2-(8-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10546805
2-(6-Methoxy-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10690208

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate?
The IUPAC name of (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate (CID 53322367) is (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate.
What is the SMILES notation for (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate?
The canonical SMILES for (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate is Cn1cnc2cc(OC(=O)c3ccccc3)cnc21.
What is the InChIKey of (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate?
The InChIKey is KAEOHXDNBGUDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-9-16-12-7-11(8-15-13(12)17)19-14(18)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate?
(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate has a molecular weight of 253.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate is sourced from PubChem (CID 53322367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).