1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

C18H20Cl2N6 — CID 147272133

IUPAC1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(N)CC1
InChIInChI=1S/C18H20Cl2N6/c1-10-17(26-8-6-18(2,21)7-9-26)23-16-15(22-10)14(24-25-16)11-4-3-5-12(19)13(11)20/h3-5H,6-9,21H2,1-2H3,(H,23,24,25)
InChIKeyCQQHMMRMSHDXRX-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.95
Rot. Bonds2

About 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 147272133) has the molecular formula C18H20Cl2N6 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
PubChem CID147272133
Molecular FormulaC18H20Cl2N6
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(N)CC1
InChIInChI=1S/C18H20Cl2N6/c1-10-17(26-8-6-18(2,21)7-9-26)23-16-15(22-10)14(24-25-16)11-4-3-5-12(19)13(11)20/h3-5H,6-9,21H2,1-2H3,(H,23,24,25)
InChIKeyCQQHMMRMSHDXRX-UHFFFAOYSA-N
XLogP3.95
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (CID 147272133) is 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is Cc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(N)CC1.
What is the InChIKey of 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The InChIKey is CQQHMMRMSHDXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N6/c1-10-17(26-8-6-18(2,21)7-9-26)23-16-15(22-10)14(24-25-16)11-4-3-5-12(19)13(11)20/h3-5H,6-9,21H2,1-2H3,(H,23,24,25).
What are the key properties of 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 391.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 147272133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).