2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride

C19H24Cl4N6O — CID 155682781

IUPAC2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CC3CNCC3C2)cn1
InChIInChI=1S/C19H20N6O.4ClH/c26-18-3-12(13-6-23-24-7-13)1-2-16(18)17-8-22-19(9-21-17)25-10-14-4-20-5-15(14)11-25;;;;/h1-3,6-9,14-15,20,26H,4-5,10-11H2,(H,23,24);4*1H
InChIKeyAQPVVBVWDFPJIS-UHFFFAOYSA-N
MW494.25 g/mol
LogP3.58
Rot. Bonds3

About 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride

2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride (PubChem CID 155682781) has the molecular formula C19H24Cl4N6O and a molecular weight of 494.25 g/mol. Its IUPAC name is 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride.

Molecular Properties

Compound Name2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride
PubChem CID155682781
Molecular FormulaC19H24Cl4N6O
Molecular Weight494.25 g/mol
Exact Mass492.08
IUPAC Name2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CC3CNCC3C2)cn1
InChIInChI=1S/C19H20N6O.4ClH/c26-18-3-12(13-6-23-24-7-13)1-2-16(18)17-8-22-19(9-21-17)25-10-14-4-20-5-15(14)11-25;;;;/h1-3,6-9,14-15,20,26H,4-5,10-11H2,(H,23,24);4*1H
InChIKeyAQPVVBVWDFPJIS-UHFFFAOYSA-N
XLogP3.58
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.25
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride?
The IUPAC name of 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride (CID 155682781) is 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride.
What is the SMILES notation for 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride?
The canonical SMILES for 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride is Cl.Cl.Cl.Cl.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CC3CNCC3C2)cn1.
What is the InChIKey of 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride?
The InChIKey is AQPVVBVWDFPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.4ClH/c26-18-3-12(13-6-23-24-7-13)1-2-16(18)17-8-22-19(9-21-17)25-10-14-4-20-5-15(14)11-25;;;;/h1-3,6-9,14-15,20,26H,4-5,10-11H2,(H,23,24);4*1H.
What are the key properties of 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride?
2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride has a molecular weight of 494.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride is sourced from PubChem (CID 155682781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).