3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine

C24H23FN4 — CID 23647186

IUPAC3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
SMILESCC(N1CCCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C24H23FN4/c1-17(28-15-2-3-16-28)29-21-5-4-12-27-23(21)22(18-6-8-20(25)9-7-18)24(29)19-10-13-26-14-11-19/h4-14,17H,2-3,15-16H2,1H3
InChIKeyJDTHCPPOXBKYII-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.52
Rot. Bonds4

About 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine

3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine (PubChem CID 23647186) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
PubChem CID23647186
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
SMILESCC(N1CCCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C24H23FN4/c1-17(28-15-2-3-16-28)29-21-5-4-12-27-23(21)22(18-6-8-20(25)9-7-18)24(29)19-10-13-26-14-11-19/h4-14,17H,2-3,15-16H2,1H3
InChIKeyJDTHCPPOXBKYII-UHFFFAOYSA-N
XLogP5.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine (CID 23647186) is 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine is CC(N1CCCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is JDTHCPPOXBKYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-17(28-15-2-3-16-28)29-21-5-4-12-27-23(21)22(18-6-8-20(25)9-7-18)24(29)19-10-13-26-14-11-19/h4-14,17H,2-3,15-16H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 386.47 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 23647186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).