3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol

C20H26FN3O — CID 170614482

IUPAC3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)O.Fc1c[nH]c2nccc(-c3ccccc3)c12
InChIInChI=1S/C13H9FN2.C7H17NO/c14-11-8-16-13-12(11)10(6-7-15-13)9-4-2-1-3-5-9;1-6(2)4-8-5-7(3)9/h1-8H,(H,15,16);6-9H,4-5H2,1-3H3
InChIKeyMSFGRYZXXUJLDF-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.98
Rot. Bonds5

About 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol

3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol (PubChem CID 170614482) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol
PubChem CID170614482
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)O.Fc1c[nH]c2nccc(-c3ccccc3)c12
InChIInChI=1S/C13H9FN2.C7H17NO/c14-11-8-16-13-12(11)10(6-7-15-13)9-4-2-1-3-5-9;1-6(2)4-8-5-7(3)9/h1-8H,(H,15,16);6-9H,4-5H2,1-3H3
InChIKeyMSFGRYZXXUJLDF-UHFFFAOYSA-N
XLogP3.98
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol (CID 170614482) is 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(C)O.Fc1c[nH]c2nccc(-c3ccccc3)c12.
What is the InChIKey of 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol?
The InChIKey is MSFGRYZXXUJLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2.C7H17NO/c14-11-8-16-13-12(11)10(6-7-15-13)9-4-2-1-3-5-9;1-6(2)4-8-5-7(3)9/h1-8H,(H,15,16);6-9H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol?
3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol has a molecular weight of 343.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 170614482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).