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

C17H18Cl2N6 — CID 167304888

IUPAC1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C17H18Cl2N6/c1-17(20)5-7-24(8-6-17)14-10-21-16-12(23-14)9-22-25(16)13-4-2-3-11(18)15(13)19/h2-4,9-10H,5-8,20H2,1H3
InChIKeyCSIYNRNZXUUGNH-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.44
Rot. Bonds2

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

1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine (PubChem CID 167304888) has the molecular formula C17H18Cl2N6 and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine
PubChem CID167304888
Molecular FormulaC17H18Cl2N6
Molecular Weight377.28 g/mol
Exact Mass376.10
IUPAC Name1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C17H18Cl2N6/c1-17(20)5-7-24(8-6-17)14-10-21-16-12(23-14)9-22-25(16)13-4-2-3-11(18)15(13)19/h2-4,9-10H,5-8,20H2,1H3
InChIKeyCSIYNRNZXUUGNH-UHFFFAOYSA-N
XLogP3.44
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine (CID 167304888) is 1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1.
What is the InChIKey of 1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine?
The InChIKey is CSIYNRNZXUUGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N6/c1-17(20)5-7-24(8-6-17)14-10-21-16-12(23-14)9-22-25(16)13-4-2-3-11(18)15(13)19/h2-4,9-10H,5-8,20H2,1H3.
What are the key properties of 1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine?
1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine has a molecular weight of 377.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 167304888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).