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

C26H21F3N4O2 — CID 71214666

IUPAC(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cn(-c3cc(F)cc(F)c3)nc2-c2ccc(F)cn2)N1CCc1ccc(O)cc1
InChIInChI=1S/C26H21F3N4O2/c27-17-3-6-23(30-14-17)26-22(15-33(31-26)20-12-18(28)11-19(29)13-20)24-7-8-25(35)32(24)10-9-16-1-4-21(34)5-2-16/h1-6,11-15,24,34H,7-10H2/t24-/m1/s1
InChIKeyRFQMMENEVXNEKD-XMMPIXPASA-N
MW478.47 g/mol
LogP4.96
Rot. Bonds6

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

(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 71214666) has the molecular formula C26H21F3N4O2 and a molecular weight of 478.47 g/mol. Its IUPAC name is (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID71214666
Molecular FormulaC26H21F3N4O2
Molecular Weight478.47 g/mol
Exact Mass478.16
IUPAC Name(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cn(-c3cc(F)cc(F)c3)nc2-c2ccc(F)cn2)N1CCc1ccc(O)cc1
InChIInChI=1S/C26H21F3N4O2/c27-17-3-6-23(30-14-17)26-22(15-33(31-26)20-12-18(28)11-19(29)13-20)24-7-8-25(35)32(24)10-9-16-1-4-21(34)5-2-16/h1-6,11-15,24,34H,7-10H2/t24-/m1/s1
InChIKeyRFQMMENEVXNEKD-XMMPIXPASA-N
XLogP4.96
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.96
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-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one (CID 71214666) is (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one is O=C1CC[C@H](c2cn(-c3cc(F)cc(F)c3)nc2-c2ccc(F)cn2)N1CCc1ccc(O)cc1.
What is the InChIKey of (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is RFQMMENEVXNEKD-XMMPIXPASA-N. The full InChI is InChI=1S/C26H21F3N4O2/c27-17-3-6-23(30-14-17)26-22(15-33(31-26)20-12-18(28)11-19(29)13-20)24-7-8-25(35)32(24)10-9-16-1-4-21(34)5-2-16/h1-6,11-15,24,34H,7-10H2/t24-/m1/s1.
What are the key properties of (5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one?
(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 478.47 g/mol, XLogP of 4.96, 6 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-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 71214666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).