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

C26H23ClN4O2 — CID 25017297

IUPAC2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3cccc(Cl)c3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H23ClN4O2/c27-20-5-3-4-18(14-20)25-16-22-24(33-25)8-11-30(26(22)32)21-6-7-23-19(15-21)17-28-31(23)13-12-29-9-1-2-10-29/h3-8,11,14-17H,1-2,9-10,12-13H2
InChIKeyWGDQNKHYIZFQMB-UHFFFAOYSA-N
MW458.95 g/mol
LogP5.35
Rot. Bonds5

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

2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (PubChem CID 25017297) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
PubChem CID25017297
Molecular FormulaC26H23ClN4O2
Molecular Weight458.95 g/mol
Exact Mass458.15
IUPAC Name2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3cccc(Cl)c3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H23ClN4O2/c27-20-5-3-4-18(14-20)25-16-22-24(33-25)8-11-30(26(22)32)21-6-7-23-19(15-21)17-28-31(23)13-12-29-9-1-2-10-29/h3-8,11,14-17H,1-2,9-10,12-13H2
InChIKeyWGDQNKHYIZFQMB-UHFFFAOYSA-N
XLogP5.35
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (CID 25017297) is 2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is O=c1c2cc(-c3cccc(Cl)c3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The InChIKey is WGDQNKHYIZFQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c27-20-5-3-4-18(14-20)25-16-22-24(33-25)8-11-30(26(22)32)21-6-7-23-19(15-21)17-28-31(23)13-12-29-9-1-2-10-29/h3-8,11,14-17H,1-2,9-10,12-13H2.
What are the key properties of 2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one has a molecular weight of 458.95 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25017297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).