5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol

C23H33N3O2 — CID 143580486

IUPAC5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol
SMILESCCCCCO.CCOc1ccc(-c2nc3c(C)c[nH]c3cc2C)c(CC)n1
InChIInChI=1S/C18H21N3O.C5H12O/c1-5-14-13(7-8-16(20-14)22-6-2)17-11(3)9-15-18(21-17)12(4)10-19-15;1-2-3-4-5-6/h7-10,19H,5-6H2,1-4H3;6H,2-5H2,1H3
InChIKeyNWZPDUMMHCGTGC-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.37
Rot. Bonds7

About 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol

5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol (PubChem CID 143580486) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol.

Molecular Properties

Compound Name5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol
PubChem CID143580486
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol
SMILESCCCCCO.CCOc1ccc(-c2nc3c(C)c[nH]c3cc2C)c(CC)n1
InChIInChI=1S/C18H21N3O.C5H12O/c1-5-14-13(7-8-16(20-14)22-6-2)17-11(3)9-15-18(21-17)12(4)10-19-15;1-2-3-4-5-6/h7-10,19H,5-6H2,1-4H3;6H,2-5H2,1H3
InChIKeyNWZPDUMMHCGTGC-UHFFFAOYSA-N
XLogP5.37
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol with MolForge

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Related Compounds

butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine
CID 143580290
(2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
CID 71157493
2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane
CID 143580271
6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane
CID 143015242
3,5-dimethyl-1H-pyrrolo[3,2-b]pyridine;ethane
CID 144820313
6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143014939
octan-1-ol;1,2-xylene
CID 68579692
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol
CID 79815532
6-ethoxy-2,2,4-trimethyl-1H-quinoline;tridecan-1-ol
CID 174453090
anthracene;hexan-1-ol
CID 174457209
dodecan-1-ol;ethane
CID 87449114

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol?
The IUPAC name of 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol (CID 143580486) is 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol.
What is the SMILES notation for 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol?
The canonical SMILES for 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol is CCCCCO.CCOc1ccc(-c2nc3c(C)c[nH]c3cc2C)c(CC)n1.
What is the InChIKey of 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol?
The InChIKey is NWZPDUMMHCGTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C5H12O/c1-5-14-13(7-8-16(20-14)22-6-2)17-11(3)9-15-18(21-17)12(4)10-19-15;1-2-3-4-5-6/h7-10,19H,5-6H2,1-4H3;6H,2-5H2,1H3.
What are the key properties of 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol?
5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol has a molecular weight of 383.54 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol is sourced from PubChem (CID 143580486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).