5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine

C20H25N3O — CID 58702800

IUPAC5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCCc1nc(OC)ccc1-c1nc2c(C)cn(C(C)C)c2cc1C
InChIInChI=1S/C20H25N3O/c1-7-16-15(8-9-18(21-16)24-6)19-13(4)10-17-20(22-19)14(5)11-23(17)12(2)3/h8-12H,7H2,1-6H3
InChIKeyBJYQAYITEAAPIJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.87
Rot. Bonds4

About 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine

5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine (PubChem CID 58702800) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
PubChem CID58702800
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCCc1nc(OC)ccc1-c1nc2c(C)cn(C(C)C)c2cc1C
InChIInChI=1S/C20H25N3O/c1-7-16-15(8-9-18(21-16)24-6)19-13(4)10-17-20(22-19)14(5)11-23(17)12(2)3/h8-12H,7H2,1-6H3
InChIKeyBJYQAYITEAAPIJ-UHFFFAOYSA-N
XLogP4.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine (CID 58702800) is 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine is CCc1nc(OC)ccc1-c1nc2c(C)cn(C(C)C)c2cc1C.
What is the InChIKey of 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine?
The InChIKey is BJYQAYITEAAPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-7-16-15(8-9-18(21-16)24-6)19-13(4)10-17-20(22-19)14(5)11-23(17)12(2)3/h8-12H,7H2,1-6H3.
What are the key properties of 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine?
5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine has a molecular weight of 323.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58702800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).