4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine

C22H21FN6 — CID 70713649

IUPAC4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC(c4ccc(F)cc4)C3)c12
InChIInChI=1S/C22H21FN6/c1-14-19-21(28(2)27-14)25-20(18-5-3-4-11-24-18)26-22(19)29-12-10-16(13-29)15-6-8-17(23)9-7-15/h3-9,11,16H,10,12-13H2,1-2H3
InChIKeyUKDFSGVCUGXIOH-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.87
Rot. Bonds3

About 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine

4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 70713649) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
PubChem CID70713649
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC(c4ccc(F)cc4)C3)c12
InChIInChI=1S/C22H21FN6/c1-14-19-21(28(2)27-14)25-20(18-5-3-4-11-24-18)26-22(19)29-12-10-16(13-29)15-6-8-17(23)9-7-15/h3-9,11,16H,10,12-13H2,1-2H3
InChIKeyUKDFSGVCUGXIOH-UHFFFAOYSA-N
XLogP3.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[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-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine (CID 70713649) is 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine is Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCC(c4ccc(F)cc4)C3)c12.
What is the InChIKey of 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is UKDFSGVCUGXIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-14-19-21(28(2)27-14)25-20(18-5-3-4-11-24-18)26-22(19)29-12-10-16(13-29)15-6-8-17(23)9-7-15/h3-9,11,16H,10,12-13H2,1-2H3.
What are the key properties of 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 388.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)pyrrolidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 70713649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).