2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide

C18H21FN4O3 — CID 124799431

IUPAC2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2ccnn21
InChIInChI=1S/C18H21FN4O3/c1-20-17(24)9-15-11-22(10-14-5-6-21-23(14)15)18(25)7-12-3-4-13(19)8-16(12)26-2/h3-6,8,15H,7,9-11H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyDBLDEHNTFOYIAL-HNNXBMFYSA-N
MW360.39 g/mol
LogP1.29
Rot. Bonds5

About 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide

2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide (PubChem CID 124799431) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
PubChem CID124799431
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2ccnn21
InChIInChI=1S/C18H21FN4O3/c1-20-17(24)9-15-11-22(10-14-5-6-21-23(14)15)18(25)7-12-3-4-13(19)8-16(12)26-2/h3-6,8,15H,7,9-11H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyDBLDEHNTFOYIAL-HNNXBMFYSA-N
XLogP1.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(7R)-7-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 124815563
2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155860751
2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
CID 131693779
2-[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155863599
2-[5-[(3,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155861561
N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124814867
N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171693397
2-(1,3-benzodioxol-5-yl)-1-[7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 131642465
N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 86907916
(7R)-5-(2-cyclopentylacetyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124800007
N-[[(7S)-5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124783317
N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 119060434

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide?
The IUPAC name of 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide (CID 124799431) is 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide?
The canonical SMILES for 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide is CNC(=O)C[C@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2ccnn21.
What is the InChIKey of 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide?
The InChIKey is DBLDEHNTFOYIAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-20-17(24)9-15-11-22(10-14-5-6-21-23(14)15)18(25)7-12-3-4-13(19)8-16(12)26-2/h3-6,8,15H,7,9-11H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide?
2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide has a molecular weight of 360.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide is sourced from PubChem (CID 124799431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).