4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C17H18FN5 — CID 94582480

IUPAC4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCC[C@H]3Cc3ccc(F)cc3)ncnc21
InChIInChI=1S/C17H18FN5/c1-22-16-15(10-21-22)17(20-11-19-16)23-8-2-3-14(23)9-12-4-6-13(18)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3/t14-/m0/s1
InChIKeyOFZRKIGKZJNVLS-AWEZNQCLSA-N
MW311.36 g/mol
LogP2.71
Rot. Bonds3

About 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 94582480) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID94582480
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCC[C@H]3Cc3ccc(F)cc3)ncnc21
InChIInChI=1S/C17H18FN5/c1-22-16-15(10-21-22)17(20-11-19-16)23-8-2-3-14(23)9-12-4-6-13(18)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3/t14-/m0/s1
InChIKeyOFZRKIGKZJNVLS-AWEZNQCLSA-N
XLogP2.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 33379975
[(2R)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 41112085
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 22590117
N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 62586356
4-[2-(2-bromoethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 80671765
N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine
CID 55138849
4-[2-(methoxymethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 146092252
4-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 42891735
[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506211
1-[(2R)-2-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95345257
N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 42933881
1-[2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 71932754

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 94582480) is 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCC[C@H]3Cc3ccc(F)cc3)ncnc21.
What is the InChIKey of 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is OFZRKIGKZJNVLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FN5/c1-22-16-15(10-21-22)17(20-11-19-16)23-8-2-3-14(23)9-12-4-6-13(18)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 311.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 94582480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).