7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine

C13H15ClFN5 — CID 155211239

IUPAC7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine
SMILESC[C@@H]1CN(c2ncnc3c(F)c(Cl)ncc23)[C@@H](C)CN1
InChIInChI=1S/C13H15ClFN5/c1-7-5-20(8(2)3-16-7)13-9-4-17-12(14)10(15)11(9)18-6-19-13/h4,6-8,16H,3,5H2,1-2H3/t7-,8+/m1/s1
InChIKeyVZZQFWVZBAHZSM-SFYZADRCSA-N
MW295.75 g/mol
LogP2.00
Rot. Bonds1

About 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine

7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine (PubChem CID 155211239) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine
PubChem CID155211239
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine
SMILESC[C@@H]1CN(c2ncnc3c(F)c(Cl)ncc23)[C@@H](C)CN1
InChIInChI=1S/C13H15ClFN5/c1-7-5-20(8(2)3-16-7)13-9-4-17-12(14)10(15)11(9)18-6-19-13/h4,6-8,16H,3,5H2,1-2H3/t7-,8+/m1/s1
InChIKeyVZZQFWVZBAHZSM-SFYZADRCSA-N
XLogP2.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-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 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine (CID 155211239) is 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine is C[C@@H]1CN(c2ncnc3c(F)c(Cl)ncc23)[C@@H](C)CN1.
What is the InChIKey of 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine?
The InChIKey is VZZQFWVZBAHZSM-SFYZADRCSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-7-5-20(8(2)3-16-7)13-9-4-17-12(14)10(15)11(9)18-6-19-13/h4,6-8,16H,3,5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine?
7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine has a molecular weight of 295.75 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 155211239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).