8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane

C22H28Cl2N6 — CID 145413066

About 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane

8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane (PubChem CID 145413066) has the molecular formula C22H28Cl2N6 and a molecular weight of 447.41 g/mol. Its IUPAC name is 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane.

Molecular Properties

• Compound Name: 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane
• PubChem CID: 145413066
• Molecular Formula: C22H28Cl2N6
• Molecular Weight: 447.41 g/mol
• Exact Mass: 446.18
• IUPAC Name: 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane
• SMILES: CC.NC1CCCC12CCN(c1cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n1)CC2
• InChI: InChI=1S/C20H22Cl2N6.C2H6/c21-13-4-1-3-12(16(13)22)17-18-19(27-26-17)25-15(11-24-18)28-9-7-20(8-10-28)6-2-5-14(20)23;1-2/h1,3-4,11,14H,2,5-10,23H2,(H,25,26,27);1-2H3
• InChIKey: FPTUHOUWGMHYHO-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 83.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.41
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane?

The IUPAC name of 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane (CID 145413066) is 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane.

What is the SMILES notation for 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane?

The canonical SMILES for 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane is CC.NC1CCCC12CCN(c1cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n1)CC2.

What is the InChIKey of 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane?

The InChIKey is FPTUHOUWGMHYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6.C2H6/c21-13-4-1-3-12(16(13)22)17-18-19(27-26-17)25-15(11-24-18)28-9-7-20(8-10-28)6-2-5-14(20)23;1-2/h1,3-4,11,14H,2,5-10,23H2,(H,25,26,27);1-2H3.

What are the key properties of 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane?

8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane has a molecular weight of 447.41 g/mol, XLogP of 5.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane is sourced from PubChem (CID 145413066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).