8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine

C19H13ClFN5 — CID 154608540

IUPAC8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3cncnc23)cc(Cl)n1
InChIInChI=1S/C19H13ClFN5/c1-10-6-12(7-15(20)25-10)16-17(11-2-4-13(21)5-3-11)26-19(22)14-8-23-9-24-18(14)16/h2-9H,1H3,(H2,22,26)
InChIKeyIXUQZCHTCLZQNJ-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.44
Rot. Bonds2

About 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine

8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 154608540) has the molecular formula C19H13ClFN5 and a molecular weight of 365.80 g/mol. Its IUPAC name is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
PubChem CID154608540
Molecular FormulaC19H13ClFN5
Molecular Weight365.80 g/mol
Exact Mass365.08
IUPAC Name8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3cncnc23)cc(Cl)n1
InChIInChI=1S/C19H13ClFN5/c1-10-6-12(7-15(20)25-10)16-17(11-2-4-13(21)5-3-11)26-19(22)14-8-23-9-24-18(14)16/h2-9H,1H3,(H2,22,26)
InChIKeyIXUQZCHTCLZQNJ-UHFFFAOYSA-N
XLogP4.44
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine 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 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine (CID 154608540) is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3cncnc23)cc(Cl)n1.
What is the InChIKey of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is IXUQZCHTCLZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5/c1-10-6-12(7-15(20)25-10)16-17(11-2-4-13(21)5-3-11)26-19(22)14-8-23-9-24-18(14)16/h2-9H,1H3,(H2,22,26).
What are the key properties of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine?
8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 365.80 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 154608540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).