N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine

C56H55ClF3N19O — CID 162198015

IUPACN-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine
SMILESCCOc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nccn23)cc1.Cc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1
InChIInChI=1S/C15H15F2N5.C15H17N5O.C14H14N4.C12H9ClFN5/c1-9-5-4-6-11(7-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-4-21-15-18-14-16-11(3)9-13(20(14)19-15)17-12-7-5-10(2)6-8-12;1-10-3-5-12(6-4-10)17-13-9-11(2)16-14-15-7-8-18(13)14;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h4-8,19H,1-3H3;5-9,17H,4H2,1-3H3;3-9,17H,1-2H3;2-6,18H,1H3
InChIKeyZRFBKBWVZHQMFQ-UHFFFAOYSA-N
MW1102.63 g/mol
LogP12.54
Rot. Bonds11

About N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine

N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine (PubChem CID 162198015) has the molecular formula C56H55ClF3N19O and a molecular weight of 1102.63 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine
PubChem CID162198015
Molecular FormulaC56H55ClF3N19O
Molecular Weight1102.63 g/mol
Exact Mass1101.45
IUPAC NameN-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine
SMILESCCOc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nccn23)cc1.Cc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1
InChIInChI=1S/C15H15F2N5.C15H17N5O.C14H14N4.C12H9ClFN5/c1-9-5-4-6-11(7-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-4-21-15-18-14-16-11(3)9-13(20(14)19-15)17-12-7-5-10(2)6-8-12;1-10-3-5-12(6-4-10)17-13-9-11(2)16-14-15-7-8-18(13)14;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h4-8,19H,1-3H3;5-9,17H,4H2,1-3H3;3-9,17H,1-2H3;2-6,18H,1H3
InChIKeyZRFBKBWVZHQMFQ-UHFFFAOYSA-N
XLogP12.54
TPSA216.78 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001102.63
LogP ≤ 512.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine with MolForge

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Related Compounds

4-[6-[2-[(2-chloroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,5-difluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035490
5-[(dimethylamino)methyl]-2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[2-[[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methylamino]ethoxy]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035496
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide
CID 143541898
1-[6-[[1-[5-[[7-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3,5-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970495
4-[(7R)-5-[(2-chlorophenyl)-difluoromethyl]-7-(methoxymethyl)-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155367232
4-[5-[(2-chlorophenyl)-difluoromethyl]-7-(methoxymethyl)-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155376511
N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 157372175
N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine
CID 157404048
5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;6-(2-propylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 157760778
6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-propan-2-ylimidazo[1,2-b]pyridazine;5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-fluoro-2-propan-2-ylimidazo[1,2-b]pyridazine;6-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 158198489
6-[2-(4-Chlorophenyl)pyrazol-3-yl]-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridine;6-[2-(4-chlorophenyl)pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 158794093
6-chloro-2-propan-2-ylimidazo[1,2-b]pyridazine;6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;6-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-fluoro-2-propan-2-ylimidazo[1,2-b]pyridazine;6-imidazol-1-yl-2-propan-2-ylimidazo[1,2-b]pyridazine;6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;4-(2-propan-2-ylimidazo[1,2-b]pyridazin-6-yl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 158808089

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine (CID 162198015) is N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine is CCOc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nccn23)cc1.Cc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine?
The InChIKey is ZRFBKBWVZHQMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5.C15H17N5O.C14H14N4.C12H9ClFN5/c1-9-5-4-6-11(7-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-4-21-15-18-14-16-11(3)9-13(20(14)19-15)17-12-7-5-10(2)6-8-12;1-10-3-5-12(6-4-10)17-13-9-11(2)16-14-15-7-8-18(13)14;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h4-8,19H,1-3H3;5-9,17H,4H2,1-3H3;3-9,17H,1-2H3;2-6,18H,1H3.
What are the key properties of N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine?
N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 1102.63 g/mol, XLogP of 12.54, 11 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 162198015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).