3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine

C25H25FN4 — CID 23647187

IUPAC3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCC(N1CCCCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C25H25FN4/c1-18(29-16-3-2-4-17-29)30-22-6-5-13-28-24(22)23(19-7-9-21(26)10-8-19)25(30)20-11-14-27-15-12-20/h5-15,18H,2-4,16-17H2,1H3
InChIKeyPKKXBJRIYZNEPX-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.91
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine

3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (PubChem CID 23647187) has the molecular formula C25H25FN4 and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
PubChem CID23647187
Molecular FormulaC25H25FN4
Molecular Weight400.50 g/mol
Exact Mass400.21
IUPAC Name3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCC(N1CCCCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C25H25FN4/c1-18(29-16-3-2-4-17-29)30-22-6-5-13-28-24(22)23(19-7-9-21(26)10-8-19)25(30)20-11-14-27-15-12-20/h5-15,18H,2-4,16-17H2,1H3
InChIKeyPKKXBJRIYZNEPX-UHFFFAOYSA-N
XLogP5.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (CID 23647187) is 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is CC(N1CCCCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The InChIKey is PKKXBJRIYZNEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4/c1-18(29-16-3-2-4-17-29)30-22-6-5-13-28-24(22)23(19-7-9-21(26)10-8-19)25(30)20-11-14-27-15-12-20/h5-15,18H,2-4,16-17H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine has a molecular weight of 400.50 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(1-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 23647187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).