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

C20H22FN7O — CID 166837094

IUPAC2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCC(C)n1cc(N2Cc3nn(-c4ccc(N5CC[C@H](F)C5)nc4)cc3C2=O)cn1
InChIInChI=1S/C20H22FN7O/c1-13(2)27-10-16(8-23-27)26-12-18-17(20(26)29)11-28(24-18)15-3-4-19(22-7-15)25-6-5-14(21)9-25/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3/t14-/m0/s1
InChIKeyQNIOSMSOEWFKTR-AWEZNQCLSA-N
MW395.44 g/mol
LogP2.75
Rot. Bonds4

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

2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 166837094) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID166837094
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCC(C)n1cc(N2Cc3nn(-c4ccc(N5CC[C@H](F)C5)nc4)cc3C2=O)cn1
InChIInChI=1S/C20H22FN7O/c1-13(2)27-10-16(8-23-27)26-12-18-17(20(26)29)11-28(24-18)15-3-4-19(22-7-15)25-6-5-14(21)9-25/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3/t14-/m0/s1
InChIKeyQNIOSMSOEWFKTR-AWEZNQCLSA-N
XLogP2.75
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-[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-[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-[(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-[(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
5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837415
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837012
5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837500
5-(3-fluoro-2-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837540
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 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) is 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is CC(C)n1cc(N2Cc3nn(-c4ccc(N5CC[C@H](F)C5)nc4)cc3C2=O)cn1.
What is the InChIKey of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is QNIOSMSOEWFKTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-13(2)27-10-16(8-23-27)26-12-18-17(20(26)29)11-28(24-18)15-3-4-19(22-7-15)25-6-5-14(21)9-25/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 395.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 166837094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).