6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

C20H17N7O — CID 138522314

IUPAC6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOc1ncnc2ccn(-c3cnc4nc(C)n(Cc5ccccn5)c4c3)c12
InChIInChI=1S/C20H17N7O/c1-13-25-19-17(27(13)11-14-5-3-4-7-21-14)9-15(10-22-19)26-8-6-16-18(26)20(28-2)24-12-23-16/h3-10,12H,11H2,1-2H3
InChIKeyLZCZXZMBISRJPO-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.93
Rot. Bonds4

About 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 138522314) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID138522314
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOc1ncnc2ccn(-c3cnc4nc(C)n(Cc5ccccn5)c4c3)c12
InChIInChI=1S/C20H17N7O/c1-13-25-19-17(27(13)11-14-5-3-4-7-21-14)9-15(10-22-19)26-8-6-16-18(26)20(28-2)24-12-23-16/h3-10,12H,11H2,1-2H3
InChIKeyLZCZXZMBISRJPO-UHFFFAOYSA-N
XLogP2.93
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 138522314) is 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is COc1ncnc2ccn(-c3cnc4nc(C)n(Cc5ccccn5)c4c3)c12.
What is the InChIKey of 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is LZCZXZMBISRJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-13-25-19-17(27(13)11-14-5-3-4-7-21-14)9-15(10-22-19)26-8-6-16-18(26)20(28-2)24-12-23-16/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 371.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 138522314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).