5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C22H23N5O3 — CID 92566902

IUPAC5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC[C@@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)ccc1=O
InChIInChI=1S/C22H23N5O3/c1-25-13-16(9-10-19(25)28)22(30)26-11-5-6-15(14-26)20(29)18-12-24-27(21(18)23)17-7-3-2-4-8-17/h2-4,7-10,12-13,15H,5-6,11,14,23H2,1H3/t15-/m1/s1
InChIKeyVBHAWKWBUUFERL-OAHLLOKOSA-N
MW405.46 g/mol
LogP1.89
Rot. Bonds4

About 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 92566902) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID92566902
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC[C@@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)ccc1=O
InChIInChI=1S/C22H23N5O3/c1-25-13-16(9-10-19(25)28)22(30)26-11-5-6-15(14-26)20(29)18-12-24-27(21(18)23)17-7-3-2-4-8-17/h2-4,7-10,12-13,15H,5-6,11,14,23H2,1H3/t15-/m1/s1
InChIKeyVBHAWKWBUUFERL-OAHLLOKOSA-N
XLogP1.89
TPSA103.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 110239672
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-benzoylpiperidin-3-yl]methanone
CID 92573997
(5-amino-1-phenylpyrazol-4-yl)-(1-benzoylpyrrolidin-3-yl)methanone
CID 110239730
(5-amino-1-phenylpyrazol-4-yl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methanone
CID 110239660
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 92570408
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 92595156
1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92575852
5-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 110239841
1-[(3S)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92603392
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 92610733
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610978
1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239748

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 92566902) is 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCC[C@@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)ccc1=O.
What is the InChIKey of 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is VBHAWKWBUUFERL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-25-13-16(9-10-19(25)28)22(30)26-11-5-6-15(14-26)20(29)18-12-24-27(21(18)23)17-7-3-2-4-8-17/h2-4,7-10,12-13,15H,5-6,11,14,23H2,1H3/t15-/m1/s1.
What are the key properties of 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 405.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 92566902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).