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

C16H22N6O2 — CID 128978324

IUPAC[(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncnc3c2cnn3C)C1
InChIInChI=1S/C16H22N6O2/c1-20-14-12(8-19-20)15(18-10-17-14)22-9-11(24-2)7-13(22)16(23)21-5-3-4-6-21/h8,10-11,13H,3-7,9H2,1-2H3/t11-,13-/m0/s1
InChIKeyFVWPIJGQWXGEFH-AAEUAGOBSA-N
MW330.39 g/mol
LogP0.58
Rot. Bonds3

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

[(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 128978324) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID128978324
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncnc3c2cnn3C)C1
InChIInChI=1S/C16H22N6O2/c1-20-14-12(8-19-20)15(18-10-17-14)22-9-11(24-2)7-13(22)16(23)21-5-3-4-6-21/h8,10-11,13H,3-7,9H2,1-2H3/t11-,13-/m0/s1
InChIKeyFVWPIJGQWXGEFH-AAEUAGOBSA-N
XLogP0.58
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929111
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163355013
4-[2-(methoxymethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 146092252
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
[(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 128977974
N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 42933881
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892137
5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 128978140
(3-aminocyclohexyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119840109
1-[(2R)-2-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95345257
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358224

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 128978324) is [(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncnc3c2cnn3C)C1.
What is the InChIKey of [(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FVWPIJGQWXGEFH-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20-14-12(8-19-20)15(18-10-17-14)22-9-11(24-2)7-13(22)16(23)21-5-3-4-6-21/h8,10-11,13H,3-7,9H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 330.39 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 128978324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).