N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine

C20H16FN7O2 — CID 67124273

IUPACN-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
SMILESO=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCc2ncccc21
InChIInChI=1S/C20H16FN7O2/c21-12-6-7-18-23-9-16(27(18)11-12)19-24-10-17(28(29)30)20(26-19)25-15-5-1-4-14-13(15)3-2-8-22-14/h2-3,6-11,15H,1,4-5H2,(H,24,25,26)
InChIKeyLJDRNMACWBAIHF-UHFFFAOYSA-N
MW405.39 g/mol
LogP3.72
Rot. Bonds4

About N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine

N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 67124273) has the molecular formula C20H16FN7O2 and a molecular weight of 405.39 g/mol. Its IUPAC name is N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID67124273
Molecular FormulaC20H16FN7O2
Molecular Weight405.39 g/mol
Exact Mass405.13
IUPAC NameN-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
SMILESO=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCc2ncccc21
InChIInChI=1S/C20H16FN7O2/c21-12-6-7-18-23-9-16(27(18)11-12)19-24-10-17(28(29)30)20(26-19)25-15-5-1-4-14-13(15)3-2-8-22-14/h2-3,6-11,15H,1,4-5H2,(H,24,25,26)
InChIKeyLJDRNMACWBAIHF-UHFFFAOYSA-N
XLogP3.72
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-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 N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine (CID 67124273) is N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine is O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCc2ncccc21.
What is the InChIKey of N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is LJDRNMACWBAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O2/c21-12-6-7-18-23-9-16(27(18)11-12)19-24-10-17(28(29)30)20(26-19)25-15-5-1-4-14-13(15)3-2-8-22-14/h2-3,6-11,15H,1,4-5H2,(H,24,25,26).
What are the key properties of N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine?
N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 405.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 67124273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).