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

C20H16FN7O2 — CID 142791424

IUPAC3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
SMILESNC1CCCc2ncc(-c3nc(-c4cnc5ccc(F)cn45)ncc3[N+](=O)[O-])cc21
InChIInChI=1S/C20H16FN7O2/c21-12-4-5-18-24-9-17(27(18)10-12)20-25-8-16(28(29)30)19(26-20)11-6-13-14(22)2-1-3-15(13)23-7-11/h4-10,14H,1-3,22H2
InChIKeyZFFIJLUEEXNXLF-UHFFFAOYSA-N
MW405.39 g/mol
LogP3.24
Rot. Bonds3

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

3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 142791424) has the molecular formula C20H16FN7O2 and a molecular weight of 405.39 g/mol. Its IUPAC name is 3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID142791424
Molecular FormulaC20H16FN7O2
Molecular Weight405.39 g/mol
Exact Mass405.13
IUPAC Name3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
SMILESNC1CCCc2ncc(-c3nc(-c4cnc5ccc(F)cn45)ncc3[N+](=O)[O-])cc21
InChIInChI=1S/C20H16FN7O2/c21-12-4-5-18-24-9-17(27(18)10-12)20-25-8-16(28(29)30)19(26-20)11-6-13-14(22)2-1-3-15(13)23-7-11/h4-10,14H,1-3,22H2
InChIKeyZFFIJLUEEXNXLF-UHFFFAOYSA-N
XLogP3.24
TPSA125.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 53.24
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'}

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Related Compounds

(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
9-(2-(2-Nitro-1-imidazolyl)ethylamino)acridine
CID 132458
US11420970, Example 198
CID 156073186
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
6-(4-Benzylpiperazino)pyrido(3,2-e)pyrrolo(1,2-a)pyrazine
CID 9841032
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrimidin-7-ylamine
CID 9953203
{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-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine (CID 142791424) is 3-[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 3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine is NC1CCCc2ncc(-c3nc(-c4cnc5ccc(F)cn45)ncc3[N+](=O)[O-])cc21.
What is the InChIKey of 3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is ZFFIJLUEEXNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O2/c21-12-4-5-18-24-9-17(27(18)10-12)20-25-8-16(28(29)30)19(26-20)11-6-13-14(22)2-1-3-15(13)23-7-11/h4-10,14H,1-3,22H2.
What are the key properties of 3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine?
3-[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 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[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 142791424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).