2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole

C22H28N8 — CID 168878807

IUPAC2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole
SMILESC=C1c2cn(-c3cnc(N4CCCCC(C)CC4)cn3)nc2CN1c1cnn(C)c1
InChIInChI=1S/C22H28N8/c1-16-6-4-5-8-28(9-7-16)21-11-24-22(12-23-21)30-14-19-17(2)29(15-20(19)26-30)18-10-25-27(3)13-18/h10-14,16H,2,4-9,15H2,1,3H3
InChIKeyUGLFTMXYEKUUKV-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.40
Rot. Bonds3

About 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole

2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole (PubChem CID 168878807) has the molecular formula C22H28N8 and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole
PubChem CID168878807
Molecular FormulaC22H28N8
Molecular Weight404.52 g/mol
Exact Mass404.24
IUPAC Name2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole
SMILESC=C1c2cn(-c3cnc(N4CCCCC(C)CC4)cn3)nc2CN1c1cnn(C)c1
InChIInChI=1S/C22H28N8/c1-16-6-4-5-8-28(9-7-16)21-11-24-22(12-23-21)30-14-19-17(2)29(15-20(19)26-30)18-10-25-27(3)13-18/h10-14,16H,2,4-9,15H2,1,3H3
InChIKeyUGLFTMXYEKUUKV-UHFFFAOYSA-N
XLogP3.40
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole with MolForge

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Related Compounds

2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878820
ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine
CID 144954602
5-(1-methylpyrazol-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879009
2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole
CID 168878860
2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878906
5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837415
2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878921
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786987
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837012
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878897

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole (CID 168878807) is 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole is C=C1c2cn(-c3cnc(N4CCCCC(C)CC4)cn3)nc2CN1c1cnn(C)c1.
What is the InChIKey of 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole?
The InChIKey is UGLFTMXYEKUUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8/c1-16-6-4-5-8-28(9-7-16)21-11-24-22(12-23-21)30-14-19-17(2)29(15-20(19)26-30)18-10-25-27(3)13-18/h10-14,16H,2,4-9,15H2,1,3H3.
What are the key properties of 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole?
2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole has a molecular weight of 404.52 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 168878807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).