2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one

C19H20FN7OS — CID 168878906

IUPAC2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3cnc(N4CCCCCC(F)C4)cn3)nc2CN1c1cncs1
InChIInChI=1S/C19H20FN7OS/c20-13-4-2-1-3-5-25(9-13)16-6-23-17(7-22-16)27-10-14-15(24-27)11-26(19(14)28)18-8-21-12-29-18/h6-8,10,12-13H,1-5,9,11H2
InChIKeyDIBVHNPEUSSMHK-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.00
Rot. Bonds3

About 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one

2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 168878906) has the molecular formula C19H20FN7OS and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID168878906
Molecular FormulaC19H20FN7OS
Molecular Weight413.48 g/mol
Exact Mass413.14
IUPAC Name2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3cnc(N4CCCCCC(F)C4)cn3)nc2CN1c1cncs1
InChIInChI=1S/C19H20FN7OS/c20-13-4-2-1-3-5-25(9-13)16-6-23-17(7-22-16)27-10-14-15(24-27)11-26(19(14)28)18-8-21-12-29-18/h6-8,10,12-13H,1-5,9,11H2
InChIKeyDIBVHNPEUSSMHK-UHFFFAOYSA-N
XLogP3.00
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one 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
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]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 176622290
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786987
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837094
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879017
3-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-4-oxo-6H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile
CID 168786983
5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837415
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878804
5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837500
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-[4-(2-trimethylsilylethoxymethoxy)-2-pyridinyl]-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168787061
2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole
CID 168878807

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 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) is 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is O=C1c2cn(-c3cnc(N4CCCCCC(F)C4)cn3)nc2CN1c1cncs1.
What is the InChIKey of 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is DIBVHNPEUSSMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7OS/c20-13-4-2-1-3-5-25(9-13)16-6-23-17(7-22-16)27-10-14-15(24-27)11-26(19(14)28)18-8-21-12-29-18/h6-8,10,12-13H,1-5,9,11H2.
What are the key properties of 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 413.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 168878906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).