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

C25H25FN4 — CID 10862277

IUPAC3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESFc1ccc(-c2c(-c3ccncc3)n(CCN3CCCCC3)c3cccnc23)cc1
InChIInChI=1S/C25H25FN4/c26-21-8-6-19(7-9-21)23-24-22(5-4-12-28-24)30(18-17-29-15-2-1-3-16-29)25(23)20-10-13-27-14-11-20/h4-14H,1-3,15-18H2
InChIKeyIAYFZPCPRAMGGV-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.39
Rot. Bonds5

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

3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (PubChem CID 10862277) has the molecular formula C25H25FN4 and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
PubChem CID10862277
Molecular FormulaC25H25FN4
Molecular Weight400.50 g/mol
Exact Mass400.21
IUPAC Name3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESFc1ccc(-c2c(-c3ccncc3)n(CCN3CCCCC3)c3cccnc23)cc1
InChIInChI=1S/C25H25FN4/c26-21-8-6-19(7-9-21)23-24-22(5-4-12-28-24)30(18-17-29-15-2-1-3-16-29)25(23)20-10-13-27-14-11-20/h4-14H,1-3,15-18H2
InChIKeyIAYFZPCPRAMGGV-UHFFFAOYSA-N
XLogP5.39
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.39
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-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (CID 10862277) is 3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is Fc1ccc(-c2c(-c3ccncc3)n(CCN3CCCCC3)c3cccnc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The InChIKey is IAYFZPCPRAMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4/c26-21-8-6-19(7-9-21)23-24-22(5-4-12-28-24)30(18-17-29-15-2-1-3-16-29)25(23)20-10-13-27-14-11-20/h4-14H,1-3,15-18H2.
What are the key properties of 3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine has a molecular weight of 400.50 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 10862277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).