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

C60H51ClF3N21O4 — CID 158752075

IUPAC3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine
SMILESNC1CCCc2ncccc21.Nc1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCc2ncccc21.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCc2ncccc21
InChIInChI=1S/C20H16FN7O2.C20H18FN7.C11H5ClFN5O2.C9H12N2/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;21-12-6-7-18-24-10-17(28(18)11-12)20-25-9-14(22)19(27-20)26-16-5-1-4-15-13(16)3-2-8-23-15;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;10-8-4-1-5-9-7(8)3-2-6-11-9/h2-3,6-11,15H,1,4-5H2,(H,24,25,26);2-3,6-11,16H,1,4-5,22H2,(H,25,26,27);1-5H;2-3,6,8H,1,4-5,10H2
InChIKeyINPJSBXAGABHGW-UHFFFAOYSA-N
MW1222.66 g/mol
LogP11.03
Rot. Bonds9

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

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 158752075) has the molecular formula C60H51ClF3N21O4 and a molecular weight of 1222.66 g/mol. Its IUPAC name is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID158752075
Molecular FormulaC60H51ClF3N21O4
Molecular Weight1222.66 g/mol
Exact Mass1221.41
IUPAC Name3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine
SMILESNC1CCCc2ncccc21.Nc1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCc2ncccc21.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCc2ncccc21
InChIInChI=1S/C20H16FN7O2.C20H18FN7.C11H5ClFN5O2.C9H12N2/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;21-12-6-7-18-24-10-17(28(18)11-12)20-25-9-14(22)19(27-20)26-16-5-1-4-15-13(16)3-2-8-23-15;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;10-8-4-1-5-9-7(8)3-2-6-11-9/h2-3,6-11,15H,1,4-5H2,(H,24,25,26);2-3,6-11,16H,1,4-5,22H2,(H,25,26,27);1-5H;2-3,6,8H,1,4-5,10H2
InChIKeyINPJSBXAGABHGW-UHFFFAOYSA-N
XLogP11.03
TPSA330.29 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001222.66
LogP ≤ 511.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;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

Related Compounds

6-N-[2-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59313083
N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
CID 67124273
N-[2-[[4-(2-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(2-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[(5-nitro-2-pyridinyl)amino]ethyl]amino]amino]ethyl]-5-nitropyridin-2-amine
CID 87778196
N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitrosopyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
CID 117900698
2-[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
CID 123606357
3-[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine
CID 142791424
2-[8-[2-amino-2-(5-fluoro-2-pyridinyl)ethyl]-6-fluoroimidazo[1,2-a]pyridin-3-yl]-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine
CID 153650451
7-[5-chloro-6-[(2S,6R)-6-[3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]-2-[(2R,6S)-6-[5-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 156281651
3-(6-chloro-5-methyl-2-pyridinyl)-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloropyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;3-methyl-6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 158464831
4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride
CID 158550319
3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline
CID 158781042
2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine
CID 158892143

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine (CID 158752075) is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine is NC1CCCc2ncccc21.Nc1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCc2ncccc21.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NC1CCCc2ncccc21.
What is the InChIKey of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is INPJSBXAGABHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O2.C20H18FN7.C11H5ClFN5O2.C9H12N2/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;21-12-6-7-18-24-10-17(28(18)11-12)20-25-9-14(22)19(27-20)26-16-5-1-4-15-13(16)3-2-8-23-15;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;10-8-4-1-5-9-7(8)3-2-6-11-9/h2-3,6-11,15H,1,4-5H2,(H,24,25,26);2-3,6-11,16H,1,4-5,22H2,(H,25,26,27);1-5H;2-3,6,8H,1,4-5,10H2.
What are the key properties of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine?
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 1222.66 g/mol, XLogP of 11.03, 9 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;N-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(5,6,7,8-tetrahydroquinolin-5-yl)pyrimidine-4,5-diamine;5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 158752075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).