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

C25H24N4O3 — CID 25205494

IUPAC4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2ccc3c(c2)OCO3)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H24N4O3/c30-25-15-19(18-3-6-23-24(14-18)32-17-31-23)7-10-28(25)21-4-5-22-20(13-21)16-26-29(22)12-11-27-8-1-2-9-27/h3-7,10,13-16H,1-2,8-9,11-12,17H2
InChIKeyUSBCHRYVNZICDF-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.68
Rot. Bonds5

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

4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25205494) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25205494
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2ccc3c(c2)OCO3)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H24N4O3/c30-25-15-19(18-3-6-23-24(14-18)32-17-31-23)7-10-28(25)21-4-5-22-20(13-21)16-26-29(22)12-11-27-8-1-2-9-27/h3-7,10,13-16H,1-2,8-9,11-12,17H2
InChIKeyUSBCHRYVNZICDF-UHFFFAOYSA-N
XLogP3.68
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25205494) is 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(-c2ccc3c(c2)OCO3)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is USBCHRYVNZICDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-25-15-19(18-3-6-23-24(14-18)32-17-31-23)7-10-28(25)21-4-5-22-20(13-21)16-26-29(22)12-11-27-8-1-2-9-27/h3-7,10,13-16H,1-2,8-9,11-12,17H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 428.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25205494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).