[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C12H13FN4O2 — CID 164642603

IUPAC[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2C[C@H](O)[C@@H](F)C2)cnc2ccnn12
InChIInChI=1S/C12H13FN4O2/c1-7-8(4-14-11-2-3-15-17(7)11)12(19)16-5-9(13)10(18)6-16/h2-4,9-10,18H,5-6H2,1H3/t9-,10-/m0/s1
InChIKeyGGEBKFSXGNKUQT-UWVGGRQHSA-N
MW264.26 g/mol
LogP0.19
Rot. Bonds1

About [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 164642603) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID164642603
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2C[C@H](O)[C@@H](F)C2)cnc2ccnn12
InChIInChI=1S/C12H13FN4O2/c1-7-8(4-14-11-2-3-15-17(7)11)12(19)16-5-9(13)10(18)6-16/h2-4,9-10,18H,5-6H2,1H3/t9-,10-/m0/s1
InChIKeyGGEBKFSXGNKUQT-UWVGGRQHSA-N
XLogP0.19
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 164642603) is [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1c(C(=O)N2C[C@H](O)[C@@H](F)C2)cnc2ccnn12.
What is the InChIKey of [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is GGEBKFSXGNKUQT-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-7-8(4-14-11-2-3-15-17(7)11)12(19)16-5-9(13)10(18)6-16/h2-4,9-10,18H,5-6H2,1H3/t9-,10-/m0/s1.
What are the key properties of [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 264.26 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 164642603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).