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

C16H16FN5 — CID 33379975

IUPAC4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCC[C@H]3c3ccc(F)cc3)ncnc21
InChIInChI=1S/C16H16FN5/c1-21-15-13(9-20-21)16(19-10-18-15)22-8-2-3-14(22)11-4-6-12(17)7-5-11/h4-7,9-10,14H,2-3,8H2,1H3/t14-/m0/s1
InChIKeyPHTZBHVQIADEDR-AWEZNQCLSA-N
MW297.34 g/mol
LogP2.84
Rot. Bonds2

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

4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 33379975) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID33379975
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCC[C@H]3c3ccc(F)cc3)ncnc21
InChIInChI=1S/C16H16FN5/c1-21-15-13(9-20-21)16(19-10-18-15)22-8-2-3-14(22)11-4-6-12(17)7-5-11/h4-7,9-10,14H,2-3,8H2,1H3/t14-/m0/s1
InChIKeyPHTZBHVQIADEDR-AWEZNQCLSA-N
XLogP2.84
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2S)-2-(4-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 33379975) is 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCC[C@H]3c3ccc(F)cc3)ncnc21.
What is the InChIKey of 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is PHTZBHVQIADEDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16FN5/c1-21-15-13(9-20-21)16(19-10-18-15)22-8-2-3-14(22)11-4-6-12(17)7-5-11/h4-7,9-10,14H,2-3,8H2,1H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 297.34 g/mol, XLogP of 2.84, 2 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)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 33379975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).