(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide

C24H23FN4O2 — CID 99759367

IUPAC(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccccc1
InChIInChI=1S/C24H23FN4O2/c1-2-20(17-6-4-3-5-7-17)23(30)26-12-13-28-14-15-29-22(24(28)31)16-21(27-29)18-8-10-19(25)11-9-18/h3-11,14-16,20H,2,12-13H2,1H3,(H,26,30)
InChIKeyYJPMJFLDYYNJQT-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.61
Rot. Bonds7

About (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide

(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide (PubChem CID 99759367) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide
PubChem CID99759367
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccccc1
InChIInChI=1S/C24H23FN4O2/c1-2-20(17-6-4-3-5-7-17)23(30)26-12-13-28-14-15-29-22(24(28)31)16-21(27-29)18-8-10-19(25)11-9-18/h3-11,14-16,20H,2,12-13H2,1H3,(H,26,30)
InChIKeyYJPMJFLDYYNJQT-UHFFFAOYSA-N
XLogP3.61
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenylbutanamide
CID 90515546
N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methylthiophene-2-carboxamide
CID 91892640
3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-phenylpropyl)propanamide
CID 53332375
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide
CID 91892722
2-(4-fluorophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 99743921
4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892918
2-phenyl-5-propylpyrazolo[1,5-a]pyrazin-4-one
CID 91886931
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889183
2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide
CID 91892902
N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 155976929
5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128543
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53332891

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide (CID 99759367) is (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide is CCC(C(=O)NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccccc1.
What is the InChIKey of (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide?
The InChIKey is YJPMJFLDYYNJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-2-20(17-6-4-3-5-7-17)23(30)26-12-13-28-14-15-29-22(24(28)31)16-21(27-29)18-8-10-19(25)11-9-18/h3-11,14-16,20H,2,12-13H2,1H3,(H,26,30).
What are the key properties of (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide?
(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide has a molecular weight of 418.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide is sourced from PubChem (CID 99759367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).