3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine

C18H12N4O2 — CID 146316060

IUPAC3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESc1cc(-c2ccc3ncn(-c4ccc5c(c4)OCO5)c3n2)ccn1
InChIInChI=1S/C18H12N4O2/c1-4-16-17(24-11-23-16)9-13(1)22-10-20-15-3-2-14(21-18(15)22)12-5-7-19-8-6-12/h1-10H,11H2
InChIKeyANYGJOZNEQLSMZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.21
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine

3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 146316060) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID146316060
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESc1cc(-c2ccc3ncn(-c4ccc5c(c4)OCO5)c3n2)ccn1
InChIInChI=1S/C18H12N4O2/c1-4-16-17(24-11-23-16)9-13(1)22-10-20-15-3-2-14(21-18(15)22)12-5-7-19-8-6-12/h1-10H,11H2
InChIKeyANYGJOZNEQLSMZ-UHFFFAOYSA-N
XLogP3.21
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 26
CID 6539368
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CID 44236916
Benzo[c][2,7]naphthyridine, 21
CID 44236918
7-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10548259
1-(1,3-Benzodioxol-5-yl)-7-fluoro-6-pyridin-4-ylbenzimidazole
CID 146315994
2-amino-1-[3-(1,3-benzodioxol-5-ylamino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 45488686
5-Substituted 1-Phenylbenzimidazole 37
CID 5328527
Imidazopyridine 10d
CID 5329343
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757
7-(5,6-Dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 76311133
2-(1,3-Benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridine
CID 5190275

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine (CID 146316060) is 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine is c1cc(-c2ccc3ncn(-c4ccc5c(c4)OCO5)c3n2)ccn1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is ANYGJOZNEQLSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c1-4-16-17(24-11-23-16)9-13(1)22-10-20-15-3-2-14(21-18(15)22)12-5-7-19-8-6-12/h1-10H,11H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine?
3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 316.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 146316060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).