N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C14H17FN8O — CID 154741699

IUPACN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNc2ncnc3[nH]ncc23)no1
InChIInChI=1S/C14H17FN8O/c1-8-20-12(22-24-8)6-23-5-9(15)2-10(23)3-16-13-11-4-19-21-14(11)18-7-17-13/h4,7,9-10H,2-3,5-6H2,1H3,(H2,16,17,18,19,21)/t9-,10-/m0/s1
InChIKeyJJFZOWDNQLPQAR-UWVGGRQHSA-N
MW332.34 g/mol
LogP1.07
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 154741699) has the molecular formula C14H17FN8O and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID154741699
Molecular FormulaC14H17FN8O
Molecular Weight332.34 g/mol
Exact Mass332.15
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNc2ncnc3[nH]ncc23)no1
InChIInChI=1S/C14H17FN8O/c1-8-20-12(22-24-8)6-23-5-9(15)2-10(23)3-16-13-11-4-19-21-14(11)18-7-17-13/h4,7,9-10H,2-3,5-6H2,1H3,(H2,16,17,18,19,21)/t9-,10-/m0/s1
InChIKeyJJFZOWDNQLPQAR-UWVGGRQHSA-N
XLogP1.07
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 154741699) is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(CN2C[C@@H](F)C[C@H]2CNc2ncnc3[nH]ncc23)no1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JJFZOWDNQLPQAR-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17FN8O/c1-8-20-12(22-24-8)6-23-5-9(15)2-10(23)3-16-13-11-4-19-21-14(11)18-7-17-13/h4,7,9-10H,2-3,5-6H2,1H3,(H2,16,17,18,19,21)/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 332.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154741699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).