2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride

C29H33Cl2N5O3 — CID 162329748

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride
SMILESCC(C)Oc1cccc(C(=O)Cn2ccn3nc(N4CCC[C@@H](N)C4)c(Cc4ccccc4Cl)c3c2=O)c1.Cl
InChIInChI=1S/C29H32ClN5O3.ClH/c1-19(2)38-23-10-5-8-21(15-23)26(36)18-34-13-14-35-27(29(34)37)24(16-20-7-3-4-11-25(20)30)28(32-35)33-12-6-9-22(31)17-33;/h3-5,7-8,10-11,13-15,19,22H,6,9,12,16-18,31H2,1-2H3;1H/t22-;/m1./s1
InChIKeyGMUYPQBSBXQCKP-VZYDHVRKSA-N
MW570.52 g/mol
LogP4.76
Rot. Bonds8

About 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride (PubChem CID 162329748) has the molecular formula C29H33Cl2N5O3 and a molecular weight of 570.52 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride
PubChem CID162329748
Molecular FormulaC29H33Cl2N5O3
Molecular Weight570.52 g/mol
Exact Mass569.20
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride
SMILESCC(C)Oc1cccc(C(=O)Cn2ccn3nc(N4CCC[C@@H](N)C4)c(Cc4ccccc4Cl)c3c2=O)c1.Cl
InChIInChI=1S/C29H32ClN5O3.ClH/c1-19(2)38-23-10-5-8-21(15-23)26(36)18-34-13-14-35-27(29(34)37)24(16-20-7-3-4-11-25(20)30)28(32-35)33-12-6-9-22(31)17-33;/h3-5,7-8,10-11,13-15,19,22H,6,9,12,16-18,31H2,1-2H3;1H/t22-;/m1./s1
InChIKeyGMUYPQBSBXQCKP-VZYDHVRKSA-N
XLogP4.76
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride (CID 162329748) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride is CC(C)Oc1cccc(C(=O)Cn2ccn3nc(N4CCC[C@@H](N)C4)c(Cc4ccccc4Cl)c3c2=O)c1.Cl.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride?
The InChIKey is GMUYPQBSBXQCKP-VZYDHVRKSA-N. The full InChI is InChI=1S/C29H32ClN5O3.ClH/c1-19(2)38-23-10-5-8-21(15-23)26(36)18-34-13-14-35-27(29(34)37)24(16-20-7-3-4-11-25(20)30)28(32-35)33-12-6-9-22(31)17-33;/h3-5,7-8,10-11,13-15,19,22H,6,9,12,16-18,31H2,1-2H3;1H/t22-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride has a molecular weight of 570.52 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride is sourced from PubChem (CID 162329748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).