4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C25H24F2N4O2 — CID 25056611

IUPAC4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)c(F)c2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H24F2N4O2/c26-22-5-3-18(13-23(22)27)17-33-21-7-10-30(25(32)15-21)20-4-6-24-19(14-20)16-28-31(24)12-11-29-8-1-2-9-29/h3-7,10,13-16H,1-2,8-9,11-12,17H2
InChIKeyFGBXGEPQQKBFQB-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.14
Rot. Bonds7

About 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25056611) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25056611
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC Name4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)c(F)c2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H24F2N4O2/c26-22-5-3-18(13-23(22)27)17-33-21-7-10-30(25(32)15-21)20-4-6-24-19(14-20)16-28-31(24)12-11-29-8-1-2-9-29/h3-7,10,13-16H,1-2,8-9,11-12,17H2
InChIKeyFGBXGEPQQKBFQB-UHFFFAOYSA-N
XLogP4.14
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25056611) is 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(OCc2ccc(F)c(F)c2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is FGBXGEPQQKBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c26-22-5-3-18(13-23(22)27)17-33-21-7-10-30(25(32)15-21)20-4-6-24-19(14-20)16-28-31(24)12-11-29-8-1-2-9-29/h3-7,10,13-16H,1-2,8-9,11-12,17H2.
What are the key properties of 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 450.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25056611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).