2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one

C26H23FN4O2 — CID 25017572

IUPAC2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H23FN4O2/c27-20-5-3-18(4-6-20)25-16-22-24(33-25)9-12-30(26(22)32)21-7-8-23-19(15-21)17-28-31(23)14-13-29-10-1-2-11-29/h3-9,12,15-17H,1-2,10-11,13-14H2
InChIKeyZZLAAUPDEBUMMS-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.84
Rot. Bonds5

About 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one

2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (PubChem CID 25017572) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
PubChem CID25017572
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H23FN4O2/c27-20-5-3-18(4-6-20)25-16-22-24(33-25)9-12-30(26(22)32)21-7-8-23-19(15-21)17-28-31(23)14-13-29-10-1-2-11-29/h3-9,12,15-17H,1-2,10-11,13-14H2
InChIKeyZZLAAUPDEBUMMS-UHFFFAOYSA-N
XLogP4.84
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (CID 25017572) is 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is O=c1c2cc(-c3ccc(F)cc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The InChIKey is ZZLAAUPDEBUMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-20-5-3-18(4-6-20)25-16-22-24(33-25)9-12-30(26(22)32)21-7-8-23-19(15-21)17-28-31(23)14-13-29-10-1-2-11-29/h3-9,12,15-17H,1-2,10-11,13-14H2.
What are the key properties of 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one has a molecular weight of 442.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25017572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).