2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride

C24H31Cl2N5O3 — CID 68994202

IUPAC2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2nc(OCCN3CCCCC3)cc2c1=O.Cl
InChIInChI=1S/C24H30ClN5O3.ClH/c1-17(2)26-22(31)16-29-21(18-7-6-8-19(25)13-18)15-30-20(24(29)32)14-23(27-30)33-12-11-28-9-4-3-5-10-28;/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3,(H,26,31);1H
InChIKeyPGMNMKHWSPVVTI-UHFFFAOYSA-N
MW508.45 g/mol
LogP3.63
Rot. Bonds8

About 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride

2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride (PubChem CID 68994202) has the molecular formula C24H31Cl2N5O3 and a molecular weight of 508.45 g/mol. Its IUPAC name is 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride
PubChem CID68994202
Molecular FormulaC24H31Cl2N5O3
Molecular Weight508.45 g/mol
Exact Mass507.18
IUPAC Name2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2nc(OCCN3CCCCC3)cc2c1=O.Cl
InChIInChI=1S/C24H30ClN5O3.ClH/c1-17(2)26-22(31)16-29-21(18-7-6-8-19(25)13-18)15-30-20(24(29)32)14-23(27-30)33-12-11-28-9-4-3-5-10-28;/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3,(H,26,31);1H
InChIKeyPGMNMKHWSPVVTI-UHFFFAOYSA-N
XLogP3.63
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-[6-(3-methylphenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 68994222
1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one
CID 162068479
N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
CID 140666340
[(2R)-3-[3-(3-chlorophenyl)-1-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]isoquinolin-7-yl]oxy-2-methylpropyl] methanesulfonate
CID 59684267
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide
CID 53023365
2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide
CID 118915232
2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide
CID 68995182
2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 68997905
ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289733
N-[2-(3-chlorophenoxy)ethyl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 87013909
2-[2-(3-methoxyphenyl)-4-oxo-7-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522971
2-[2-(3-chlorophenyl)-6-[3-(2-methylpyrrolidin-1-yl)propoxy]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68688604

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride?
The IUPAC name of 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride (CID 68994202) is 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride.
What is the SMILES notation for 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride?
The canonical SMILES for 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride is CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2nc(OCCN3CCCCC3)cc2c1=O.Cl.
What is the InChIKey of 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride?
The InChIKey is PGMNMKHWSPVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3.ClH/c1-17(2)26-22(31)16-29-21(18-7-6-8-19(25)13-18)15-30-20(24(29)32)14-23(27-30)33-12-11-28-9-4-3-5-10-28;/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3,(H,26,31);1H.
What are the key properties of 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride?
2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride has a molecular weight of 508.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide;hydrochloride is sourced from PubChem (CID 68994202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).