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

C28H26N4O — CID 25205317

IUPAC4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2ccc3ccccc3c2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C28H26N4O/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
InChIKeyLBDSKHNXJVSKRI-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.10
Rot. Bonds5

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

4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25205317) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25205317
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2ccc3ccccc3c2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C28H26N4O/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
InChIKeyLBDSKHNXJVSKRI-UHFFFAOYSA-N
XLogP5.10
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25205317) is 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is 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?
The InChIKey is LBDSKHNXJVSKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/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.
What are the key properties of 4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 434.54 g/mol, XLogP of 5.10, 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 is sourced from PubChem (CID 25205317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).