[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H19FN6O2 — CID 120929111

IUPAC[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCn1ncc2c(N3C[C@H](F)C[C@H]3C(=O)N3CCOCC3)ncnc21
InChIInChI=1S/C15H19FN6O2/c1-20-13-11(7-19-20)14(18-9-17-13)22-8-10(16)6-12(22)15(23)21-2-4-24-5-3-21/h7,9-10,12H,2-6,8H2,1H3/t10-,12+/m1/s1
InChIKeyQUKWHUOAEHSZHW-PWSUYJOCSA-N
MW334.36 g/mol
LogP0.14
Rot. Bonds2

About [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120929111) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120929111
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCn1ncc2c(N3C[C@H](F)C[C@H]3C(=O)N3CCOCC3)ncnc21
InChIInChI=1S/C15H19FN6O2/c1-20-13-11(7-19-20)14(18-9-17-13)22-8-10(16)6-12(22)15(23)21-2-4-24-5-3-21/h7,9-10,12H,2-6,8H2,1H3/t10-,12+/m1/s1
InChIKeyQUKWHUOAEHSZHW-PWSUYJOCSA-N
XLogP0.14
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120929111) is [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is Cn1ncc2c(N3C[C@H](F)C[C@H]3C(=O)N3CCOCC3)ncnc21.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is QUKWHUOAEHSZHW-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-20-13-11(7-19-20)14(18-9-17-13)22-8-10(16)6-12(22)15(23)21-2-4-24-5-3-21/h7,9-10,12H,2-6,8H2,1H3/t10-,12+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 334.36 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120929111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).