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

C18H20Cl2N6O — CID 153300197

IUPAC1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCOc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(N)CC1
InChIInChI=1S/C18H20Cl2N6O/c1-18(21)6-8-26(9-7-18)16-17(27-2)22-14-13(24-25-15(14)23-16)10-4-3-5-11(19)12(10)20/h3-5H,6-9,21H2,1-2H3,(H,23,24,25)
InChIKeyAANMTIFRLSWMDS-UHFFFAOYSA-N
MW407.31 g/mol
LogP3.65
Rot. Bonds3

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

1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 153300197) has the molecular formula C18H20Cl2N6O and a molecular weight of 407.31 g/mol. Its IUPAC name is 1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
PubChem CID153300197
Molecular FormulaC18H20Cl2N6O
Molecular Weight407.31 g/mol
Exact Mass406.11
IUPAC Name1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCOc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(N)CC1
InChIInChI=1S/C18H20Cl2N6O/c1-18(21)6-8-26(9-7-18)16-17(27-2)22-14-13(24-25-15(14)23-16)10-4-3-5-11(19)12(10)20/h3-5H,6-9,21H2,1-2H3,(H,23,24,25)
InChIKeyAANMTIFRLSWMDS-UHFFFAOYSA-N
XLogP3.65
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (CID 153300197) is 1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is COc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(N)CC1.
What is the InChIKey of 1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The InChIKey is AANMTIFRLSWMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N6O/c1-18(21)6-8-26(9-7-18)16-17(27-2)22-14-13(24-25-15(14)23-16)10-4-3-5-11(19)12(10)20/h3-5H,6-9,21H2,1-2H3,(H,23,24,25).
What are the key properties of 1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 407.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dichlorophenyl)-5-methoxy-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 153300197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).