7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine

C23H15ClF3N7 — CID 23537166

IUPAC7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cn3ccnc3)nc3cc(-c4ncccc4Cl)cnc23)cc1
InChIInChI=1S/C23H15ClF3N7/c24-17-2-1-7-29-20(17)14-10-18-21(30-11-14)22(33-19(32-18)12-34-9-8-28-13-34)31-16-5-3-15(4-6-16)23(25,26)27/h1-11,13H,12H2,(H,31,32,33)
InChIKeyQADBFUGFIATSBL-UHFFFAOYSA-N
MW481.87 g/mol
LogP5.75
Rot. Bonds5

About 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 23537166) has the molecular formula C23H15ClF3N7 and a molecular weight of 481.87 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID23537166
Molecular FormulaC23H15ClF3N7
Molecular Weight481.87 g/mol
Exact Mass481.10
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cn3ccnc3)nc3cc(-c4ncccc4Cl)cnc23)cc1
InChIInChI=1S/C23H15ClF3N7/c24-17-2-1-7-29-20(17)14-10-18-21(30-11-14)22(33-19(32-18)12-34-9-8-28-13-34)31-16-5-3-15(4-6-16)23(25,26)27/h1-11,13H,12H2,(H,31,32,33)
InChIKeyQADBFUGFIATSBL-UHFFFAOYSA-N
XLogP5.75
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.87
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-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 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 23537166) is 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2nc(Cn3ccnc3)nc3cc(-c4ncccc4Cl)cnc23)cc1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is QADBFUGFIATSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N7/c24-17-2-1-7-29-20(17)14-10-18-21(30-11-14)22(33-19(32-18)12-34-9-8-28-13-34)31-16-5-3-15(4-6-16)23(25,26)27/h1-11,13H,12H2,(H,31,32,33).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 481.87 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 23537166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).