2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine

C18H13F2N7O2 — CID 67124019

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine
SMILESCC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccc(F)cn1
InChIInChI=1S/C18H13F2N7O2/c1-10(13-4-2-11(19)6-21-13)24-18-15(27(28)29)8-23-17(25-18)14-7-22-16-5-3-12(20)9-26(14)16/h2-10H,1H3,(H,23,24,25)
InChIKeyXNNTWQTVRBNZFX-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.55
Rot. Bonds5

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine (PubChem CID 67124019) has the molecular formula C18H13F2N7O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine
PubChem CID67124019
Molecular FormulaC18H13F2N7O2
Molecular Weight397.35 g/mol
Exact Mass397.11
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine
SMILESCC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccc(F)cn1
InChIInChI=1S/C18H13F2N7O2/c1-10(13-4-2-11(19)6-21-13)24-18-15(27(28)29)8-23-17(25-18)14-7-22-16-5-3-12(20)9-26(14)16/h2-10H,1H3,(H,23,24,25)
InChIKeyXNNTWQTVRBNZFX-UHFFFAOYSA-N
XLogP3.55
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.55
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 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-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

Related Compounds

Ruserontinib
CID 54760385
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}pyridin-2-ylamine
CID 24745530
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}ethylamine
CID 24746214
Cyclopropyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746216
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propylamine
CID 24746217
Cyclobutyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746383
Cyclopentyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746386

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine (CID 67124019) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine is CC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccc(F)cn1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine?
The InChIKey is XNNTWQTVRBNZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N7O2/c1-10(13-4-2-11(19)6-21-13)24-18-15(27(28)29)8-23-17(25-18)14-7-22-16-5-3-12(20)9-26(14)16/h2-10H,1H3,(H,23,24,25).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine has a molecular weight of 397.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 67124019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).