4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine

C24H23FN4O — CID 23647185

IUPAC4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
SMILESCC(N1CCOCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C24H23FN4O/c1-17(28-13-15-30-16-14-28)29-21-3-2-10-27-23(21)22(18-4-6-20(25)7-5-18)24(29)19-8-11-26-12-9-19/h2-12,17H,13-16H2,1H3
InChIKeySAFJFWSNEFJDPZ-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.76
Rot. Bonds4

About 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine

4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (PubChem CID 23647185) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
PubChem CID23647185
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
SMILESCC(N1CCOCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C24H23FN4O/c1-17(28-13-15-30-16-14-28)29-21-3-2-10-27-23(21)22(18-4-6-20(25)7-5-18)24(29)19-8-11-26-12-9-19/h2-12,17H,13-16H2,1H3
InChIKeySAFJFWSNEFJDPZ-UHFFFAOYSA-N
XLogP4.76
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (CID 23647185) is 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine is CC(N1CCOCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The InChIKey is SAFJFWSNEFJDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-17(28-13-15-30-16-14-28)29-21-3-2-10-27-23(21)22(18-4-6-20(25)7-5-18)24(29)19-8-11-26-12-9-19/h2-12,17H,13-16H2,1H3.
What are the key properties of 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine has a molecular weight of 402.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine is sourced from PubChem (CID 23647185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).