(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one

C25H19F3N4O2 — CID 71214601

IUPAC(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cn(-c3cc(F)cc(F)c3)nc2-c2ccc(F)cn2)N1Cc1ccc(O)cc1
InChIInChI=1S/C25H19F3N4O2/c26-16-3-6-22(29-12-16)25-21(14-32(30-25)19-10-17(27)9-18(28)11-19)23-7-8-24(34)31(23)13-15-1-4-20(33)5-2-15/h1-6,9-12,14,23,33H,7-8,13H2/t23-/m1/s1
InChIKeyZGCMKMLYJASWNT-HSZRJFAPSA-N
MW464.45 g/mol
LogP4.92
Rot. Bonds5

About (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one

(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 71214601) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one
PubChem CID71214601
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC Name(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cn(-c3cc(F)cc(F)c3)nc2-c2ccc(F)cn2)N1Cc1ccc(O)cc1
InChIInChI=1S/C25H19F3N4O2/c26-16-3-6-22(29-12-16)25-21(14-32(30-25)19-10-17(27)9-18(28)11-19)23-7-8-24(34)31(23)13-15-1-4-20(33)5-2-15/h1-6,9-12,14,23,33H,7-8,13H2/t23-/m1/s1
InChIKeyZGCMKMLYJASWNT-HSZRJFAPSA-N
XLogP4.92
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one (CID 71214601) is (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one is O=C1CC[C@H](c2cn(-c3cc(F)cc(F)c3)nc2-c2ccc(F)cn2)N1Cc1ccc(O)cc1.
What is the InChIKey of (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is ZGCMKMLYJASWNT-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c26-16-3-6-22(29-12-16)25-21(14-32(30-25)19-10-17(27)9-18(28)11-19)23-7-8-24(34)31(23)13-15-1-4-20(33)5-2-15/h1-6,9-12,14,23,33H,7-8,13H2/t23-/m1/s1.
What are the key properties of (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one?
(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 464.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 71214601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).