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

C25H23F3N4O — CID 25205318

IUPAC1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2
InChIKeyRMUWRXSDAOJENI-UHFFFAOYSA-N
MW452.48 g/mol
LogP4.97
Rot. Bonds5

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

1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 25205318) has the molecular formula C25H23F3N4O and a molecular weight of 452.48 g/mol. Its IUPAC name is 1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID25205318
Molecular FormulaC25H23F3N4O
Molecular Weight452.48 g/mol
Exact Mass452.18
IUPAC Name1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2
InChIKeyRMUWRXSDAOJENI-UHFFFAOYSA-N
XLogP4.97
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 25205318) is 1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is RMUWRXSDAOJENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2.
What are the key properties of 1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 452.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 25205318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).