6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide

C18H19Cl2N7O — CID 149277705

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2C(N)=O)CC1
InChIInChI=1S/C18H19Cl2N7O/c1-18(22)5-7-27(8-6-18)17-14(15(21)28)23-13-12(25-26-16(13)24-17)9-3-2-4-10(19)11(9)20/h2-4H,5-8,22H2,1H3,(H2,21,28)(H,24,25,26)
InChIKeyXSILOAOUSQLZBJ-UHFFFAOYSA-N
MW420.30 g/mol
LogP2.74
Rot. Bonds3

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

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (PubChem CID 149277705) has the molecular formula C18H19Cl2N7O and a molecular weight of 420.30 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
PubChem CID149277705
Molecular FormulaC18H19Cl2N7O
Molecular Weight420.30 g/mol
Exact Mass419.10
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2C(N)=O)CC1
InChIInChI=1S/C18H19Cl2N7O/c1-18(22)5-7-27(8-6-18)17-14(15(21)28)23-13-12(25-26-16(13)24-17)9-3-2-4-10(19)11(9)20/h2-4H,5-8,22H2,1H3,(H2,21,28)(H,24,25,26)
InChIKeyXSILOAOUSQLZBJ-UHFFFAOYSA-N
XLogP2.74
TPSA126.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (CID 149277705) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is CC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2C(N)=O)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The InChIKey is XSILOAOUSQLZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N7O/c1-18(22)5-7-27(8-6-18)17-14(15(21)28)23-13-12(25-26-16(13)24-17)9-3-2-4-10(19)11(9)20/h2-4H,5-8,22H2,1H3,(H2,21,28)(H,24,25,26).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide has a molecular weight of 420.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is sourced from PubChem (CID 149277705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).