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

C16H14FN7OS — CID 168878812

IUPAC2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3cnc(N4CC[C@H](F)C4)cn3)nc2CN1c1cncs1
InChIInChI=1S/C16H14FN7OS/c17-10-1-2-22(6-10)13-3-20-14(4-19-13)24-7-11-12(21-24)8-23(16(11)25)15-5-18-9-26-15/h3-5,7,9-10H,1-2,6,8H2/t10-/m0/s1
InChIKeyJHDNOOHGVADJIJ-JTQLQIEISA-N
MW371.40 g/mol
LogP1.83
Rot. Bonds3

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

2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 168878812) has the molecular formula C16H14FN7OS and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID168878812
Molecular FormulaC16H14FN7OS
Molecular Weight371.40 g/mol
Exact Mass371.10
IUPAC Name2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3cnc(N4CC[C@H](F)C4)cn3)nc2CN1c1cncs1
InChIInChI=1S/C16H14FN7OS/c17-10-1-2-22(6-10)13-3-20-14(4-19-13)24-7-11-12(21-24)8-23(16(11)25)15-5-18-9-26-15/h3-5,7,9-10H,1-2,6,8H2/t10-/m0/s1
InChIKeyJHDNOOHGVADJIJ-JTQLQIEISA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-[(3S)-3-fluoropyrrolidin-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3S)-3-fluoropyrrolidin-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-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 168878812) is 2-[5-[(3S)-3-fluoropyrrolidin-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-[(3S)-3-fluoropyrrolidin-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-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is O=C1c2cn(-c3cnc(N4CC[C@H](F)C4)cn3)nc2CN1c1cncs1.
What is the InChIKey of 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is JHDNOOHGVADJIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FN7OS/c17-10-1-2-22(6-10)13-3-20-14(4-19-13)24-7-11-12(21-24)8-23(16(11)25)15-5-18-9-26-15/h3-5,7,9-10H,1-2,6,8H2/t10-/m0/s1.
What are the key properties of 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 371.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 168878812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).