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

C19H18FN7O2 — CID 168878921

IUPAC2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCOc1cncc(N2Cc3nn(-c4cnc(N5CC[C@H](F)C5)cn4)cc3C2=O)c1
InChIInChI=1S/C19H18FN7O2/c1-29-14-4-13(5-21-6-14)26-11-16-15(19(26)28)10-27(24-16)18-8-22-17(7-23-18)25-3-2-12(20)9-25/h4-8,10,12H,2-3,9,11H2,1H3/t12-/m0/s1
InChIKeyZEZAZOVTLFFBTI-LBPRGKRZSA-N
MW395.40 g/mol
LogP1.77
Rot. Bonds4

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

2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 168878921) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID168878921
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCOc1cncc(N2Cc3nn(-c4cnc(N5CC[C@H](F)C5)cn4)cc3C2=O)c1
InChIInChI=1S/C19H18FN7O2/c1-29-14-4-13(5-21-6-14)26-11-16-15(19(26)28)10-27(24-16)18-8-22-17(7-23-18)25-3-2-12(20)9-25/h4-8,10,12H,2-3,9,11H2,1H3/t12-/m0/s1
InChIKeyZEZAZOVTLFFBTI-LBPRGKRZSA-N
XLogP1.77
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878897
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-[(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-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878906
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786987
3-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-4-oxo-6H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile
CID 168786983
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-[2-(2-trimethylsilylethoxymethoxy)-4-pyridinyl]-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786979
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-[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-[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-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879029

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 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) is 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-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-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is COc1cncc(N2Cc3nn(-c4cnc(N5CC[C@H](F)C5)cn4)cc3C2=O)c1.
What is the InChIKey of 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is ZEZAZOVTLFFBTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-29-14-4-13(5-21-6-14)26-11-16-15(19(26)28)10-27(24-16)18-8-22-17(7-23-18)25-3-2-12(20)9-25/h4-8,10,12H,2-3,9,11H2,1H3/t12-/m0/s1.
What are the key properties of 2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 395.40 g/mol, XLogP of 1.77, 4 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-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 168878921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).