2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine

C12H9Cl2FN4 — CID 171783382

IUPAC2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c(F)c2nc(Cl)nc(N3CC=CC3)c12
InChIInChI=1S/C12H9Cl2FN4/c1-6-7-9(8(15)10(13)16-6)17-12(14)18-11(7)19-4-2-3-5-19/h2-3H,4-5H2,1H3
InChIKeyWFSLHHFZZOQKRQ-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.16
Rot. Bonds1

About 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine

2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine (PubChem CID 171783382) has the molecular formula C12H9Cl2FN4 and a molecular weight of 299.14 g/mol. Its IUPAC name is 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine
PubChem CID171783382
Molecular FormulaC12H9Cl2FN4
Molecular Weight299.14 g/mol
Exact Mass298.02
IUPAC Name2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c(F)c2nc(Cl)nc(N3CC=CC3)c12
InChIInChI=1S/C12H9Cl2FN4/c1-6-7-9(8(15)10(13)16-6)17-12(14)18-11(7)19-4-2-3-5-19/h2-3H,4-5H2,1H3
InChIKeyWFSLHHFZZOQKRQ-UHFFFAOYSA-N
XLogP3.16
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[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 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine?
The IUPAC name of 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine (CID 171783382) is 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine is Cc1nc(Cl)c(F)c2nc(Cl)nc(N3CC=CC3)c12.
What is the InChIKey of 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine?
The InChIKey is WFSLHHFZZOQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN4/c1-6-7-9(8(15)10(13)16-6)17-12(14)18-11(7)19-4-2-3-5-19/h2-3H,4-5H2,1H3.
What are the key properties of 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine?
2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine has a molecular weight of 299.14 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-4-(2,5-dihydropyrrol-1-yl)-8-fluoro-5-methylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 171783382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).