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

C26H22ClFN4O2 — CID 25017571

IUPAC2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cc3F)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H22ClFN4O2/c27-18-3-5-20(22(28)14-18)25-15-21-24(34-25)7-10-31(26(21)33)19-4-6-23-17(13-19)16-29-32(23)12-11-30-8-1-2-9-30/h3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyJXVQDWHASUVZIZ-UHFFFAOYSA-N
MW476.94 g/mol
LogP5.49
Rot. Bonds5

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

2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (PubChem CID 25017571) has the molecular formula C26H22ClFN4O2 and a molecular weight of 476.94 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
PubChem CID25017571
Molecular FormulaC26H22ClFN4O2
Molecular Weight476.94 g/mol
Exact Mass476.14
IUPAC Name2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cc3F)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H22ClFN4O2/c27-18-3-5-20(22(28)14-18)25-15-21-24(34-25)7-10-31(26(21)33)19-4-6-23-17(13-19)16-29-32(23)12-11-30-8-1-2-9-30/h3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyJXVQDWHASUVZIZ-UHFFFAOYSA-N
XLogP5.49
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (CID 25017571) is 2-(4-chloro-2-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-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is O=c1c2cc(-c3ccc(Cl)cc3F)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The InChIKey is JXVQDWHASUVZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O2/c27-18-3-5-20(22(28)14-18)25-15-21-24(34-25)7-10-31(26(21)33)19-4-6-23-17(13-19)16-29-32(23)12-11-30-8-1-2-9-30/h3-7,10,13-16H,1-2,8-9,11-12H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one has a molecular weight of 476.94 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25017571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).