1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C25H24F2N4O2 — CID 25054546

IUPAC1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)(F)C2)c1
InChIInChI=1S/C25H24F2N4O2/c26-25(27)9-11-29(18-25)12-13-31-23-7-6-21(14-20(23)16-28-31)30-10-8-22(15-24(30)32)33-17-19-4-2-1-3-5-19/h1-8,10,14-16H,9,11-13,17-18H2
InChIKeyDMXUDNDUHLTLLW-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.11
Rot. Bonds7

About 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25054546) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25054546
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC Name1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)(F)C2)c1
InChIInChI=1S/C25H24F2N4O2/c26-25(27)9-11-29(18-25)12-13-31-23-7-6-21(14-20(23)16-28-31)30-10-8-22(15-24(30)32)33-17-19-4-2-1-3-5-19/h1-8,10,14-16H,9,11-13,17-18H2
InChIKeyDMXUDNDUHLTLLW-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25054546) is 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)(F)C2)c1.
What is the InChIKey of 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is DMXUDNDUHLTLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c26-25(27)9-11-29(18-25)12-13-31-23-7-6-21(14-20(23)16-28-31)30-10-8-22(15-24(30)32)33-17-19-4-2-1-3-5-19/h1-8,10,14-16H,9,11-13,17-18H2.
What are the key properties of 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 450.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25054546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).