3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide

C19H20Cl2N6O2 — CID 158120526

IUPAC3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
SMILESCC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2C(=O)NO)CC1
InChIInChI=1S/C19H20Cl2N6O2/c1-19(2)6-8-27(9-7-19)17-15(18(28)26-29)22-14-13(24-25-16(14)23-17)10-4-3-5-11(20)12(10)21/h3-5,29H,6-9H2,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyAPCMCRXGTKTOAO-UHFFFAOYSA-N
MW435.32 g/mol
LogP4.07
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide

3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (PubChem CID 158120526) has the molecular formula C19H20Cl2N6O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
PubChem CID158120526
Molecular FormulaC19H20Cl2N6O2
Molecular Weight435.32 g/mol
Exact Mass434.10
IUPAC Name3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
SMILESCC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2C(=O)NO)CC1
InChIInChI=1S/C19H20Cl2N6O2/c1-19(2)6-8-27(9-7-19)17-15(18(28)26-29)22-14-13(24-25-16(14)23-17)10-4-3-5-11(20)12(10)21/h3-5,29H,6-9H2,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyAPCMCRXGTKTOAO-UHFFFAOYSA-N
XLogP4.07
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
CID 149381861
5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 158289989
3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid
CID 175495648
3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol
CID 160957271
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 154640321
tert-butyl 3-(2,3-dichlorophenyl)-5-(difluoromethyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-(difluoromethyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 175088344
8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane
CID 145413066
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid
CID 156805716
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 156805632
(3S,4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 155537362
6-(4-amino-4-methylpiperidin-1-yl)-3-(3-bromo-2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 156805650
N-[6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]formamide
CID 166652863

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (CID 158120526) is 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2C(=O)NO)CC1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The InChIKey is APCMCRXGTKTOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O2/c1-19(2)6-8-27(9-7-19)17-15(18(28)26-29)22-14-13(24-25-16(14)23-17)10-4-3-5-11(20)12(10)21/h3-5,29H,6-9H2,1-2H3,(H,26,28)(H,23,24,25).
What are the key properties of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide has a molecular weight of 435.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is sourced from PubChem (CID 158120526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).