6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine

C18H20N6O — CID 168773512

IUPAC6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine
SMILESCCOc1ncc2c(-c3cnc4nc(C)n(C(C)C)c4c3)c[nH]c2n1
InChIInChI=1S/C18H20N6O/c1-5-25-18-21-9-14-13(8-20-16(14)23-18)12-6-15-17(19-7-12)22-11(4)24(15)10(2)3/h6-10H,5H2,1-4H3,(H,20,21,23)
InChIKeyROOQCSGXGYKULY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.66
Rot. Bonds4

About 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine

6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine (PubChem CID 168773512) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine
PubChem CID168773512
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine
SMILESCCOc1ncc2c(-c3cnc4nc(C)n(C(C)C)c4c3)c[nH]c2n1
InChIInChI=1S/C18H20N6O/c1-5-25-18-21-9-14-13(8-20-16(14)23-18)12-6-15-17(19-7-12)22-11(4)24(15)10(2)3/h6-10H,5H2,1-4H3,(H,20,21,23)
InChIKeyROOQCSGXGYKULY-UHFFFAOYSA-N
XLogP3.66
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine (CID 168773512) is 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine is CCOc1ncc2c(-c3cnc4nc(C)n(C(C)C)c4c3)c[nH]c2n1.
What is the InChIKey of 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is ROOQCSGXGYKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-5-25-18-21-9-14-13(8-20-16(14)23-18)12-6-15-17(19-7-12)22-11(4)24(15)10(2)3/h6-10H,5H2,1-4H3,(H,20,21,23).
What are the key properties of 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine?
6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 336.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 168773512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).