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

C25H25ClN4O3 — CID 66719497

IUPAC4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(-c2ccc3c(c2)OCO3)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H24N4O3.ClH/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;1H
InChIKeyCHFLURCVGFIPLX-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.10
Rot. Bonds5

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

4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride (PubChem CID 66719497) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
PubChem CID66719497
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(-c2ccc3c(c2)OCO3)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H24N4O3.ClH/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;1H
InChIKeyCHFLURCVGFIPLX-UHFFFAOYSA-N
XLogP4.10
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.10
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;hydrochloride?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride (CID 66719497) is 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is CHFLURCVGFIPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3.ClH/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;1H.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
4-(1,3-benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride has a molecular weight of 464.95 g/mol, XLogP of 4.10, 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;hydrochloride is sourced from PubChem (CID 66719497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).