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

C28H27ClN4O — CID 66719155

IUPAC4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(-c2ccc3ccccc3c2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C28H26N4O.ClH/c33-28-19-24(23-8-7-21-5-1-2-6-22(21)17-23)11-14-31(28)26-9-10-27-25(18-26)20-29-32(27)16-15-30-12-3-4-13-30;/h1-2,5-11,14,17-20H,3-4,12-13,15-16H2;1H
InChIKeyKIBXSWXHOYBEEQ-UHFFFAOYSA-N
MW471.00 g/mol
LogP5.53
Rot. Bonds5

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

4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride (PubChem CID 66719155) has the molecular formula C28H27ClN4O and a molecular weight of 471.00 g/mol. Its IUPAC name is 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
PubChem CID66719155
Molecular FormulaC28H27ClN4O
Molecular Weight471.00 g/mol
Exact Mass470.19
IUPAC Name4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(-c2ccc3ccccc3c2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C28H26N4O.ClH/c33-28-19-24(23-8-7-21-5-1-2-6-22(21)17-23)11-14-31(28)26-9-10-27-25(18-26)20-29-32(27)16-15-30-12-3-4-13-30;/h1-2,5-11,14,17-20H,3-4,12-13,15-16H2;1H
InChIKeyKIBXSWXHOYBEEQ-UHFFFAOYSA-N
XLogP5.53
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 25205149
CID 25205149
CID 25205150
CID 25205150
CID 25205152
CID 25205152
CID 25205153
CID 25205153
CID 25205317
CID 25205317
CID 25205318
CID 25205318
CID 25205319
CID 25205319
CID 25205321
CID 25205321
CID 25205493
CID 25205493
CID 25205829
CID 25205829
CID 25206616
CID 25206616
CID 52942550
CID 52942550

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The IUPAC name of 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride (CID 66719155) is 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The canonical SMILES for 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride is Cl.O=c1cc(-c2ccc3ccccc3c2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The InChIKey is KIBXSWXHOYBEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O.ClH/c33-28-19-24(23-8-7-21-5-1-2-6-22(21)17-23)11-14-31(28)26-9-10-27-25(18-26)20-29-32(27)16-15-30-12-3-4-13-30;/h1-2,5-11,14,17-20H,3-4,12-13,15-16H2;1H.
What are the key properties of 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride has a molecular weight of 471.00 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 66719155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).