1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine

C24H30Cl2N6 — CID 134325169

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine
SMILESCC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1
InChIInChI=1S/C24H30Cl2N6/c1-16-15-31(11-8-22(16)30-9-4-3-5-10-30)23-14-27-21-13-28-32(24(21)29-23)17(2)19-7-6-18(25)12-20(19)26/h6-7,12-14,16-17,22H,3-5,8-11,15H2,1-2H3
InChIKeyUBRBYLAGHGZRBU-UHFFFAOYSA-N
MW473.45 g/mol
LogP5.44
Rot. Bonds4

About 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine

1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine (PubChem CID 134325169) has the molecular formula C24H30Cl2N6 and a molecular weight of 473.45 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine
PubChem CID134325169
Molecular FormulaC24H30Cl2N6
Molecular Weight473.45 g/mol
Exact Mass472.19
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine
SMILESCC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1
InChIInChI=1S/C24H30Cl2N6/c1-16-15-31(11-8-22(16)30-9-4-3-5-10-30)23-14-27-21-13-28-32(24(21)29-23)17(2)19-7-6-18(25)12-20(19)26/h6-7,12-14,16-17,22H,3-5,8-11,15H2,1-2H3
InChIKeyUBRBYLAGHGZRBU-UHFFFAOYSA-N
XLogP5.44
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine (CID 134325169) is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine is CC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine?
The InChIKey is UBRBYLAGHGZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N6/c1-16-15-31(11-8-22(16)30-9-4-3-5-10-30)23-14-27-21-13-28-32(24(21)29-23)17(2)19-7-6-18(25)12-20(19)26/h6-7,12-14,16-17,22H,3-5,8-11,15H2,1-2H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine?
1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine has a molecular weight of 473.45 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134325169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).