N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine

C15H11BrFN5 — CID 22460898

IUPACN-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine
SMILESFc1cc2c(cc1Br)N(Nc1ncnc3ccncc13)CC2
InChIInChI=1S/C15H11BrFN5/c16-11-6-14-9(5-12(11)17)2-4-22(14)21-15-10-7-18-3-1-13(10)19-8-20-15/h1,3,5-8H,2,4H2,(H,19,20,21)
InChIKeyRDLQLIZNTZWEAL-UHFFFAOYSA-N
MW360.19 g/mol
LogP3.32
Rot. Bonds2

About N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine

N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 22460898) has the molecular formula C15H11BrFN5 and a molecular weight of 360.19 g/mol. Its IUPAC name is N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine
PubChem CID22460898
Molecular FormulaC15H11BrFN5
Molecular Weight360.19 g/mol
Exact Mass359.02
IUPAC NameN-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine
SMILESFc1cc2c(cc1Br)N(Nc1ncnc3ccncc13)CC2
InChIInChI=1S/C15H11BrFN5/c16-11-6-14-9(5-12(11)17)2-4-22(14)21-15-10-7-18-3-1-13(10)19-8-20-15/h1,3,5-8H,2,4H2,(H,19,20,21)
InChIKeyRDLQLIZNTZWEAL-UHFFFAOYSA-N
XLogP3.32
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-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 N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine (CID 22460898) is N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine is Fc1cc2c(cc1Br)N(Nc1ncnc3ccncc13)CC2.
What is the InChIKey of N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is RDLQLIZNTZWEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN5/c16-11-6-14-9(5-12(11)17)2-4-22(14)21-15-10-7-18-3-1-13(10)19-8-20-15/h1,3,5-8H,2,4H2,(H,19,20,21).
What are the key properties of N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine?
N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 360.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22460898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).