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

C24H24Cl2N4O — CID 66719221

IUPAC4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(-c2ccc(Cl)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C24H23ClN4O.ClH/c25-21-5-3-18(4-6-21)19-9-12-28(24(30)16-19)22-7-8-23-20(15-22)17-26-29(23)14-13-27-10-1-2-11-27;/h3-9,12,15-17H,1-2,10-11,13-14H2;1H
InChIKeyIAQHACGAGLCBGH-UHFFFAOYSA-N
MW455.39 g/mol
LogP5.03
Rot. Bonds5

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

4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride (PubChem CID 66719221) has the molecular formula C24H24Cl2N4O and a molecular weight of 455.39 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
PubChem CID66719221
Molecular FormulaC24H24Cl2N4O
Molecular Weight455.39 g/mol
Exact Mass454.13
IUPAC Name4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(-c2ccc(Cl)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C24H23ClN4O.ClH/c25-21-5-3-18(4-6-21)19-9-12-28(24(30)16-19)22-7-8-23-20(15-22)17-26-29(23)14-13-27-10-1-2-11-27;/h3-9,12,15-17H,1-2,10-11,13-14H2;1H
InChIKeyIAQHACGAGLCBGH-UHFFFAOYSA-N
XLogP5.03
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride (CID 66719221) is 4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride is Cl.O=c1cc(-c2ccc(Cl)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The InChIKey is IAQHACGAGLCBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O.ClH/c25-21-5-3-18(4-6-21)19-9-12-28(24(30)16-19)22-7-8-23-20(15-22)17-26-29(23)14-13-27-10-1-2-11-27;/h3-9,12,15-17H,1-2,10-11,13-14H2;1H.
What are the key properties of 4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride has a molecular weight of 455.39 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 66719221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).