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

C54H60ClF3N18O7 — CID 157281910

IUPAC3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
SMILESCC1(C)CC(N)CCO1.CC1(C)CC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2N)CCO1.CC1(C)CC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2[N+](=O)[O-])CCO1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl
InChIInChI=1S/C18H19FN6O3.C18H21FN6O.C11H5ClFN5O2.C7H15NO/c1-18(2)7-12(5-6-28-18)22-17-14(25(26)27)9-21-16(23-17)13-8-20-15-4-3-11(19)10-24(13)15;1-18(2)7-12(5-6-26-18)23-16-13(20)8-22-17(24-16)14-9-21-15-4-3-11(19)10-25(14)15;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-7(2)5-6(8)3-4-9-7/h3-4,8-10,12H,5-7H2,1-2H3,(H,21,22,23);3-4,8-10,12H,5-7,20H2,1-2H3,(H,22,23,24);1-5H;6H,3-5,8H2,1-2H3
InChIKeyAZTLPBNCDCEOLY-UHFFFAOYSA-N
MW1165.64 g/mol
LogP9.48
Rot. Bonds9

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

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine (PubChem CID 157281910) has the molecular formula C54H60ClF3N18O7 and a molecular weight of 1165.64 g/mol. Its IUPAC name is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
PubChem CID157281910
Molecular FormulaC54H60ClF3N18O7
Molecular Weight1165.64 g/mol
Exact Mass1164.45
IUPAC Name3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
SMILESCC1(C)CC(N)CCO1.CC1(C)CC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2N)CCO1.CC1(C)CC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2[N+](=O)[O-])CCO1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl
InChIInChI=1S/C18H19FN6O3.C18H21FN6O.C11H5ClFN5O2.C7H15NO/c1-18(2)7-12(5-6-28-18)22-17-14(25(26)27)9-21-16(23-17)13-8-20-15-4-3-11(19)10-24(13)15;1-18(2)7-12(5-6-26-18)23-16-13(20)8-22-17(24-16)14-9-21-15-4-3-11(19)10-25(14)15;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-7(2)5-6(8)3-4-9-7/h3-4,8-10,12H,5-7H2,1-2H3,(H,21,22,23);3-4,8-10,12H,5-7,20H2,1-2H3,(H,22,23,24);1-5H;6H,3-5,8H2,1-2H3
InChIKeyAZTLPBNCDCEOLY-UHFFFAOYSA-N
XLogP9.48
TPSA319.31 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001165.64
LogP ≤ 59.48
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;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine with MolForge

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine
CID 70649185
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
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
CID 161908904
tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine
CID 157102035
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine;pyridin-3-ylmethanamine
CID 157244248
1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine
CID 157383557
2-(4-aminocyclohexyl)acetonitrile;2-[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]acetonitrile;3-(4-chloro-5-nitrosopyrimidin-2-yl)-6-fluoro-1H-imidazo[1,2-a]pyridin-4-ium;2-[4-[[2-(6-fluoro-1H-imidazo[1,2-a]pyridin-4-ium-3-yl)-5-nitrosopyrimidin-4-yl]amino]cyclohexyl]acetonitrile;dihydroxide
CID 157443874
bis(carbon dioxide);3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 4-aminocyclohexane-1-carboxylate;N-(4-ethylcyclohexyl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(4-ethylcyclohexyl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
CID 157565676
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 157748880
1-Aminocyclohexane-1-carbonitrile;1-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexane-1-carbonitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;1-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]cyclohexane-1-carbonitrile
CID 157943383
3-(5-chloro-2-pyridinyl)-2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridine;5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyridin-2-amine;3-(4-fluorophenyl)-2-(6-piperidin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridine;3-(5-fluoro-2-pyridinyl)-2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridine;methane;2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)-3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridine
CID 158026137

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine?
The IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine (CID 157281910) is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine is CC1(C)CC(N)CCO1.CC1(C)CC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2N)CCO1.CC1(C)CC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2[N+](=O)[O-])CCO1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.
What is the InChIKey of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine?
The InChIKey is AZTLPBNCDCEOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O3.C18H21FN6O.C11H5ClFN5O2.C7H15NO/c1-18(2)7-12(5-6-28-18)22-17-14(25(26)27)9-21-16(23-17)13-8-20-15-4-3-11(19)10-24(13)15;1-18(2)7-12(5-6-26-18)23-16-13(20)8-22-17(24-16)14-9-21-15-4-3-11(19)10-25(14)15;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-7(2)5-6(8)3-4-9-7/h3-4,8-10,12H,5-7H2,1-2H3,(H,21,22,23);3-4,8-10,12H,5-7,20H2,1-2H3,(H,22,23,24);1-5H;6H,3-5,8H2,1-2H3.
What are the key properties of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine?
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine has a molecular weight of 1165.64 g/mol, XLogP of 9.48, 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;2,2-dimethyloxan-4-amine;N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 157281910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).