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

C18H18FN7O — CID 168786987

IUPAC2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCn1ccc(N2Cc3nn(-c4ccc(N5CC[C@@H](F)C5)nc4)cc3C2=O)n1
InChIInChI=1S/C18H18FN7O/c1-23-6-5-17(22-23)25-11-15-14(18(25)27)10-26(21-15)13-2-3-16(20-8-13)24-7-4-12(19)9-24/h2-3,5-6,8,10,12H,4,7,9,11H2,1H3/t12-/m1/s1
InChIKeyCYUZBNMMSOAPIK-GFCCVEGCSA-N
MW367.39 g/mol
LogP1.71
Rot. Bonds3

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

2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 168786987) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID168786987
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCn1ccc(N2Cc3nn(-c4ccc(N5CC[C@@H](F)C5)nc4)cc3C2=O)n1
InChIInChI=1S/C18H18FN7O/c1-23-6-5-17(22-23)25-11-15-14(18(25)27)10-26(21-15)13-2-3-16(20-8-13)24-7-4-12(19)9-24/h2-3,5-6,8,10,12H,4,7,9,11H2,1H3/t12-/m1/s1
InChIKeyCYUZBNMMSOAPIK-GFCCVEGCSA-N
XLogP1.71
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.71
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]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 168786987) is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is Cn1ccc(N2Cc3nn(-c4ccc(N5CC[C@@H](F)C5)nc4)cc3C2=O)n1.
What is the InChIKey of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is CYUZBNMMSOAPIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18FN7O/c1-23-6-5-17(22-23)25-11-15-14(18(25)27)10-26(21-15)13-2-3-16(20-8-13)24-7-4-12(19)9-24/h2-3,5-6,8,10,12H,4,7,9,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 367.39 g/mol, XLogP of 1.71, 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]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 168786987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).