8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C94H75F9N28 — CID 161206133

IUPAC8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3ccnc23)cc(C)n1.Cc1cc(-c2c(-c3cccc(F)c3)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C2CC2)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3cnnc23)cc(C(F)(F)F)n1
InChIInChI=1S/C20H18N6.C19H16FN5.C19H17N5.2C18H12F4N6/c1-12-9-15(10-16(23-12)13-7-8-13)17-18(14-5-3-2-4-6-14)24-20(21)26-11-22-25-19(17)26;1-11-9-14(10-12(2)23-11)16-17(13-3-5-15(20)6-4-13)24-19(21)25-8-7-22-18(16)25;1-12-10-15(11-13(2)22-12)16-17(14-6-4-3-5-7-14)23-19(20)24-9-8-21-18(16)24;1-9-5-11(7-13(25-9)18(20,21)22)14-15(10-3-2-4-12(19)6-10)26-17(23)28-8-24-27-16(14)28;1-9-6-10(7-13(25-9)18(20,21)22)14-15(11-4-2-3-5-12(11)19)26-17(23)28-8-24-27-16(14)28/h2-6,9-11,13H,7-8H2,1H3,(H2,21,24);3-10H,1-2H3,(H2,21,24);3-11H,1-2H3,(H2,20,23);2*2-8H,1H3,(H2,23,26)
InChIKeyUVPUEZIAVXDEMU-UHFFFAOYSA-N
MW1767.81 g/mol
LogP18.88
Rot. Bonds11

About 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 161206133) has the molecular formula C94H75F9N28 and a molecular weight of 1767.81 g/mol. Its IUPAC name is 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID161206133
Molecular FormulaC94H75F9N28
Molecular Weight1767.81 g/mol
Exact Mass1766.66
IUPAC Name8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3ccnc23)cc(C)n1.Cc1cc(-c2c(-c3cccc(F)c3)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C2CC2)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3cnnc23)cc(C(F)(F)F)n1
InChIInChI=1S/C20H18N6.C19H16FN5.C19H17N5.2C18H12F4N6/c1-12-9-15(10-16(23-12)13-7-8-13)17-18(14-5-3-2-4-6-14)24-20(21)26-11-22-25-19(17)26;1-11-9-14(10-12(2)23-11)16-17(13-3-5-15(20)6-4-13)24-19(21)25-8-7-22-18(16)25;1-12-10-15(11-13(2)22-12)16-17(14-6-4-3-5-7-14)23-19(20)24-9-8-21-18(16)24;1-9-5-11(7-13(25-9)18(20,21)22)14-15(10-3-2-4-12(19)6-10)26-17(23)28-8-24-27-16(14)28;1-9-6-10(7-13(25-9)18(20,21)22)14-15(11-4-2-3-5-12(11)19)26-17(23)28-8-24-27-16(14)28/h2-6,9-11,13H,7-8H2,1H3,(H2,21,24);3-10H,1-2H3,(H2,21,24);3-11H,1-2H3,(H2,20,23);2*2-8H,1H3,(H2,23,26)
InChIKeyUVPUEZIAVXDEMU-UHFFFAOYSA-N
XLogP18.88
TPSA384.17 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds11
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001767.81
LogP ≤ 518.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-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

(1S)-2,2-difluoro-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 118032942
7-(4-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin-2-yl)methyl)-8-(3-methylimidazo[l,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490623
7-(3-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin-2-yl)methyl)-8-(3-methylimidazo[l,2-a]pyridin-6-yl)-[l,2,4]triazolo[l,5-c]pyrimidin-5-amine
CID 146490629
2-(2-(Dimethylamino)ethyl)-7-(4-fl uorophenyl)-8-(3-methylimidazo[l,2-a]pyridin-6-yl)-[l,2,4]tria zolo[1,5-c]pyrimidin-5-amine
CID 146490650
(S)-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a] pyridin-6-yl)-2-((l-methylpyrrolidin-2-yl)methyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490652
2-(2,6-Difluorobenzyl)-8-(3-methylimidazo[l,2-a] pyridin-6-yl)-7-(pyrrolidin-1-yl)-[1,2,4]triazolo [1,5-c]pyrimidin-5-amine
CID 146490653
(R)-7-(4-fluorophenyl)-8-(3-methylimidazo[l,2-a]pyrdin-6-yl)-2-((1-methylpyrrolidin-2-yl)meth yl)-[l,2,4]triazolo[l,5-c]pyrimidin-5-amine
CID 146490656
7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(imidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo [1,5-c]pyrimidin-5-amine
CID 146490845
(1R)-2,2-difluoro-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 118032943
(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 118032981
US10131670, Example 57
CID 134608150
US10131670, Example 59
CID 134608165

Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 161206133) is 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3ccnc23)cc(C)n1.Cc1cc(-c2c(-c3cccc(F)c3)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C2CC2)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3cnnc23)cc(C(F)(F)F)n1.
What is the InChIKey of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is UVPUEZIAVXDEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6.C19H16FN5.C19H17N5.2C18H12F4N6/c1-12-9-15(10-16(23-12)13-7-8-13)17-18(14-5-3-2-4-6-14)24-20(21)26-11-22-25-19(17)26;1-11-9-14(10-12(2)23-11)16-17(13-3-5-15(20)6-4-13)24-19(21)25-8-7-22-18(16)25;1-12-10-15(11-13(2)22-12)16-17(14-6-4-3-5-7-14)23-19(20)24-9-8-21-18(16)24;1-9-5-11(7-13(25-9)18(20,21)22)14-15(10-3-2-4-12(19)6-10)26-17(23)28-8-24-27-16(14)28;1-9-6-10(7-13(25-9)18(20,21)22)14-15(11-4-2-3-5-12(11)19)26-17(23)28-8-24-27-16(14)28/h2-6,9-11,13H,7-8H2,1H3,(H2,21,24);3-10H,1-2H3,(H2,21,24);3-11H,1-2H3,(H2,20,23);2*2-8H,1H3,(H2,23,26).
What are the key properties of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1767.81 g/mol, XLogP of 18.88, 11 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 161206133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).