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

C21H27N3 — CID 58703043

IUPAC5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCCc1ccc(-c2nc3c(C)cn(C(C)C)c3cc2C)c(CC)n1
InChIInChI=1S/C21H27N3/c1-7-16-9-10-17(18(8-2)22-16)20-14(5)11-19-21(23-20)15(6)12-24(19)13(3)4/h9-13H,7-8H2,1-6H3
InChIKeyZFXUXPCSZDOPAO-UHFFFAOYSA-N
MW321.47 g/mol
LogP5.42
Rot. Bonds4

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

5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine (PubChem CID 58703043) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
PubChem CID58703043
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCCc1ccc(-c2nc3c(C)cn(C(C)C)c3cc2C)c(CC)n1
InChIInChI=1S/C21H27N3/c1-7-16-9-10-17(18(8-2)22-16)20-14(5)11-19-21(23-20)15(6)12-24(19)13(3)4/h9-13H,7-8H2,1-6H3
InChIKeyZFXUXPCSZDOPAO-UHFFFAOYSA-N
XLogP5.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.47
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine (CID 58703043) is 5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine is CCc1ccc(-c2nc3c(C)cn(C(C)C)c3cc2C)c(CC)n1.
What is the InChIKey of 5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine?
The InChIKey is ZFXUXPCSZDOPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-7-16-9-10-17(18(8-2)22-16)20-14(5)11-19-21(23-20)15(6)12-24(19)13(3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of 5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine?
5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine has a molecular weight of 321.47 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58703043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).