2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one

C18H16FN7O — CID 176622290

IUPAC2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3ccc(N4CC[C@@H](F)C4)nn3)nc2CN1c1cccnc1
InChIInChI=1S/C18H16FN7O/c19-12-5-7-24(9-12)16-3-4-17(22-21-16)26-10-14-15(23-26)11-25(18(14)27)13-2-1-6-20-8-13/h1-4,6,8,10,12H,5,7,9,11H2/t12-/m1/s1
InChIKeyQQIKVGVDXIYYRJ-GFCCVEGCSA-N
MW365.37 g/mol
LogP1.77
Rot. Bonds3

About 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one

2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 176622290) has the molecular formula C18H16FN7O and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID176622290
Molecular FormulaC18H16FN7O
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3ccc(N4CC[C@@H](F)C4)nn3)nc2CN1c1cccnc1
InChIInChI=1S/C18H16FN7O/c19-12-5-7-24(9-12)16-3-4-17(22-21-16)26-10-14-15(23-26)11-25(18(14)27)13-2-1-6-20-8-13/h1-4,6,8,10,12H,5,7,9,11H2/t12-/m1/s1
InChIKeyQQIKVGVDXIYYRJ-GFCCVEGCSA-N
XLogP1.77
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 176622290) is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one is O=C1c2cn(-c3ccc(N4CC[C@@H](F)C4)nn3)nc2CN1c1cccnc1.
What is the InChIKey of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is QQIKVGVDXIYYRJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16FN7O/c19-12-5-7-24(9-12)16-3-4-17(22-21-16)26-10-14-15(23-26)11-25(18(14)27)13-2-1-6-20-8-13/h1-4,6,8,10,12H,5,7,9,11H2/t12-/m1/s1.
What are the key properties of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 365.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 176622290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).