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

C45H48ClF3N18O7 — CID 161003962

IUPAC3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine
SMILESCOCC(C)N.COCC(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1N.COCC(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-].O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl
InChIInChI=1S/C15H15FN6O3.C15H17FN6O.C11H5ClFN5O2.C4H11NO/c1-9(8-25-2)19-15-12(22(23)24)6-18-14(20-15)11-5-17-13-4-3-10(16)7-21(11)13;1-9(8-23-2)20-14-11(17)5-19-15(21-14)12-6-18-13-4-3-10(16)7-22(12)13;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-4(5)3-6-2/h3-7,9H,8H2,1-2H3,(H,18,19,20);3-7,9H,8,17H2,1-2H3,(H,19,20,21);1-5H;4H,3,5H2,1-2H3
InChIKeyTWGKMFGNGDZLGK-UHFFFAOYSA-N
MW1045.44 g/mol
LogP6.72
Rot. Bonds15

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

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine (PubChem CID 161003962) has the molecular formula C45H48ClF3N18O7 and a molecular weight of 1045.44 g/mol. Its IUPAC name is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine.

Molecular Properties

Compound Name3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine
PubChem CID161003962
Molecular FormulaC45H48ClF3N18O7
Molecular Weight1045.44 g/mol
Exact Mass1044.36
IUPAC Name3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine
SMILESCOCC(C)N.COCC(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1N.COCC(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-].O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl
InChIInChI=1S/C15H15FN6O3.C15H17FN6O.C11H5ClFN5O2.C4H11NO/c1-9(8-25-2)19-15-12(22(23)24)6-18-14(20-15)11-5-17-13-4-3-10(16)7-21(11)13;1-9(8-23-2)20-14-11(17)5-19-15(21-14)12-6-18-13-4-3-10(16)7-22(12)13;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-4(5)3-6-2/h3-7,9H,8H2,1-2H3,(H,18,19,20);3-7,9H,8,17H2,1-2H3,(H,19,20,21);1-5H;4H,3,5H2,1-2H3
InChIKeyTWGKMFGNGDZLGK-UHFFFAOYSA-N
XLogP6.72
TPSA319.31 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001045.44
LogP ≤ 56.72
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-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine with MolForge

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Related Compounds

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 67123963
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 67123966
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine
CID 67124099
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 118164362
Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 157063868
bis(6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine);bis(2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine)
CID 158106355
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
4-[4-[6-(3,3-Difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane
CID 158934002
5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 159250566
5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 159553053
Ethane;3-(4-piperazin-1-ylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(4-piperidin-1-ylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
CID 161439891

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine?
The IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine (CID 161003962) is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine.
What is the SMILES notation for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine?
The canonical SMILES for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine is COCC(C)N.COCC(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1N.COCC(C)Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-].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-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine?
The InChIKey is TWGKMFGNGDZLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O3.C15H17FN6O.C11H5ClFN5O2.C4H11NO/c1-9(8-25-2)19-15-12(22(23)24)6-18-14(20-15)11-5-17-13-4-3-10(16)7-21(11)13;1-9(8-23-2)20-14-11(17)5-19-15(21-14)12-6-18-13-4-3-10(16)7-22(12)13;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-4(5)3-6-2/h3-7,9H,8H2,1-2H3,(H,18,19,20);3-7,9H,8,17H2,1-2H3,(H,19,20,21);1-5H;4H,3,5H2,1-2H3.
What are the key properties of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine?
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine has a molecular weight of 1045.44 g/mol, XLogP of 6.72, 15 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-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine is sourced from PubChem (CID 161003962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).