1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine

C21H26FN3 — CID 69449550

IUPAC1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine
SMILESCCC(CF)n1cc(C)c2nc(-c3ccc(C(C)C)nc3)c(C)cc21
InChIInChI=1S/C21H26FN3/c1-6-17(10-22)25-12-15(5)21-19(25)9-14(4)20(24-21)16-7-8-18(13(2)3)23-11-16/h7-9,11-13,17H,6,10H2,1-5H3
InChIKeyWNXIUJSYKGZMHR-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.76
Rot. Bonds5

About 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine

1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine (PubChem CID 69449550) has the molecular formula C21H26FN3 and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine
PubChem CID69449550
Molecular FormulaC21H26FN3
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine
SMILESCCC(CF)n1cc(C)c2nc(-c3ccc(C(C)C)nc3)c(C)cc21
InChIInChI=1S/C21H26FN3/c1-6-17(10-22)25-12-15(5)21-19(25)9-14(4)20(24-21)16-7-8-18(13(2)3)23-11-16/h7-9,11-13,17H,6,10H2,1-5H3
InChIKeyWNXIUJSYKGZMHR-UHFFFAOYSA-N
XLogP5.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

3-butan-2-yl-1,5-dimethyl-6-(6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridine
CID 141113400
2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol
CID 69453954
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58703019
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine
CID 24788716
3-[1-(1-methoxybutan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 69447678
3-[1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58702905
[3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69454232
[3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69435818
5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine
CID 71083875
1-butan-2-yl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58702847
[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69447178
(2S)-3-methoxy-2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol
CID 58702864

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine (CID 69449550) is 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine is CCC(CF)n1cc(C)c2nc(-c3ccc(C(C)C)nc3)c(C)cc21.
What is the InChIKey of 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine?
The InChIKey is WNXIUJSYKGZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3/c1-6-17(10-22)25-12-15(5)21-19(25)9-14(4)20(24-21)16-7-8-18(13(2)3)23-11-16/h7-9,11-13,17H,6,10H2,1-5H3.
What are the key properties of 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine?
1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine has a molecular weight of 339.46 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 69449550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).