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

C18H18FN7O — CID 168878804

IUPAC2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(C3=CC=C(N4CC[C@H](F)C4)NN3)nc2CN1c1cccnc1
InChIInChI=1S/C18H18FN7O/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/h1-4,6,8,10,12,21-22H,5,7,9,11H2/t12-/m0/s1
InChIKeyOGGRTRMTVGILJO-LBPRGKRZSA-N
MW367.39 g/mol
LogP1.23
Rot. Bonds3

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

2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 168878804) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID168878804
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(C3=CC=C(N4CC[C@H](F)C4)NN3)nc2CN1c1cccnc1
InChIInChI=1S/C18H18FN7O/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/h1-4,6,8,10,12,21-22H,5,7,9,11H2/t12-/m0/s1
InChIKeyOGGRTRMTVGILJO-LBPRGKRZSA-N
XLogP1.23
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 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) is 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one is O=C1c2cn(C3=CC=C(N4CC[C@H](F)C4)NN3)nc2CN1c1cccnc1.
What is the InChIKey of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is OGGRTRMTVGILJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18FN7O/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/h1-4,6,8,10,12,21-22H,5,7,9,11H2/t12-/m0/s1.
What are the key properties of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 367.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 168878804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).