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

C25H25ClN4O2 — CID 25056607

IUPAC4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H25ClN4O2/c26-21-5-3-19(4-6-21)18-32-23-9-12-29(25(31)16-23)22-7-8-24-20(15-22)17-27-30(24)14-13-28-10-1-2-11-28/h3-9,12,15-17H,1-2,10-11,13-14,18H2
InChIKeyXOHDAPWDQYKEJU-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.52
Rot. Bonds7

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

4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25056607) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25056607
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H25ClN4O2/c26-21-5-3-19(4-6-21)18-32-23-9-12-29(25(31)16-23)22-7-8-24-20(15-22)17-27-30(24)14-13-28-10-1-2-11-28/h3-9,12,15-17H,1-2,10-11,13-14,18H2
InChIKeyXOHDAPWDQYKEJU-UHFFFAOYSA-N
XLogP4.52
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25056607) is 4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is XOHDAPWDQYKEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-21-5-3-19(4-6-21)18-32-23-9-12-29(25(31)16-23)22-7-8-24-20(15-22)17-27-30(24)14-13-28-10-1-2-11-28/h3-9,12,15-17H,1-2,10-11,13-14,18H2.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 448.95 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25056607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).