N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C16H20FN7O — CID 167989228

IUPACN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNc1ncnc2[nH]ncc12
InChIInChI=1S/C16H20FN7O/c1-9-14(10(2)25-23-9)7-24-6-11(17)3-12(24)4-18-15-13-5-21-22-16(13)20-8-19-15/h5,8,11-12H,3-4,6-7H2,1-2H3,(H2,18,19,20,21,22)/t11-,12-/m0/s1
InChIKeyZFRDWYYVTLEBMN-RYUDHWBXSA-N
MW345.38 g/mol
LogP1.98
Rot. Bonds5

About N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 167989228) has the molecular formula C16H20FN7O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID167989228
Molecular FormulaC16H20FN7O
Molecular Weight345.38 g/mol
Exact Mass345.17
IUPAC NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNc1ncnc2[nH]ncc12
InChIInChI=1S/C16H20FN7O/c1-9-14(10(2)25-23-9)7-24-6-11(17)3-12(24)4-18-15-13-5-21-22-16(13)20-8-19-15/h5,8,11-12H,3-4,6-7H2,1-2H3,(H2,18,19,20,21,22)/t11-,12-/m0/s1
InChIKeyZFRDWYYVTLEBMN-RYUDHWBXSA-N
XLogP1.98
TPSA95.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 167989228) is N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNc1ncnc2[nH]ncc12.
What is the InChIKey of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZFRDWYYVTLEBMN-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H20FN7O/c1-9-14(10(2)25-23-9)7-24-6-11(17)3-12(24)4-18-15-13-5-21-22-16(13)20-8-19-15/h5,8,11-12H,3-4,6-7H2,1-2H3,(H2,18,19,20,21,22)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 345.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167989228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).