6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one

C79H71F3N20O3 — CID 159202747

IUPAC6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3ncc4n3[C@H](C(F)(F)F)CC4)n1)C2.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3C3(CC4)CC3)n1)C2.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)C2
InChIInChI=1S/C27H23F3N6O.C27H25N7O.C25H23N7O/c1-15-9-17-12-35(26(37)19(17)10-22(15)34-13-21(32-14-34)16-5-6-16)24-4-2-3-20(33-24)25-31-11-18-7-8-23(36(18)25)27(28,29)30;1-16-11-18-13-33(26(35)19(18)12-22(16)32-14-21(28-15-32)17-5-6-17)23-4-2-3-20(29-23)25-31-30-24-7-8-27(9-10-27)34(24)25;1-15-10-17-12-32(22-5-2-4-19(27-22)24-29-28-23-6-3-9-31(23)24)25(33)18(17)11-21(15)30-13-20(26-14-30)16-7-8-16/h2-4,9-11,13-14,16,23H,5-8,12H2,1H3;2-4,11-12,14-15,17H,5-10,13H2,1H3;2,4-5,10-11,13-14,16H,3,6-9,12H2,1H3/t23-;;/m0../s1
InChIKeyKPMNGFOGXPGUIM-IFUPQEAVSA-N
MW1405.57 g/mol
LogP13.65
Rot. Bonds12

About 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one

6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one (PubChem CID 159202747) has the molecular formula C79H71F3N20O3 and a molecular weight of 1405.57 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
PubChem CID159202747
Molecular FormulaC79H71F3N20O3
Molecular Weight1405.57 g/mol
Exact Mass1404.60
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3ncc4n3[C@H](C(F)(F)F)CC4)n1)C2.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3C3(CC4)CC3)n1)C2.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)C2
InChIInChI=1S/C27H23F3N6O.C27H25N7O.C25H23N7O/c1-15-9-17-12-35(26(37)19(17)10-22(15)34-13-21(32-14-34)16-5-6-16)24-4-2-3-20(33-24)25-31-11-18-7-8-23(36(18)25)27(28,29)30;1-16-11-18-13-33(26(35)19(18)12-22(16)32-14-21(28-15-32)17-5-6-17)23-4-2-3-20(29-23)25-31-30-24-7-8-27(9-10-27)34(24)25;1-15-10-17-12-32(22-5-2-4-19(27-22)24-29-28-23-6-3-9-31(23)24)25(33)18(17)11-21(15)30-13-20(26-14-30)16-7-8-16/h2-4,9-11,13-14,16,23H,5-8,12H2,1H3;2-4,11-12,14-15,17H,5-10,13H2,1H3;2,4-5,10-11,13-14,16H,3,6-9,12H2,1H3/t23-;;/m0../s1
InChIKeyKPMNGFOGXPGUIM-IFUPQEAVSA-N
XLogP13.65
TPSA232.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.57
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one with MolForge

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Related Compounds

US11136324, Example 65
CID 146366227
US10787435, Example 017
CID 152932542
6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 149817944
US11136324, Example 63
CID 146366209
US11136324, Example 64
CID 146366338
US10787435, Example 008
CID 146967893
US10787435, Example 009
CID 149337214
6-(4-cyclopropylimidazol-1-yl)-3,5-dimethyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 147594616
N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 88996442
5-(4-cyclopropylimidazol-1-yl)-N-[4-[2-[3-[6-[5-(4-cyclopropylimidazol-1-yl)-3-oxo-6-piperidin-1-yl-1H-isoindol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 137435765
3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139570970
6'-(4-cyclopropylimidazol-1-yl)-2'-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]spiro[cyclopropane-1,3'-isoindole]-1'-one
CID 141745260

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one (CID 159202747) is 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one is Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3ncc4n3[C@H](C(F)(F)F)CC4)n1)C2.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3C3(CC4)CC3)n1)C2.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)C2.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one?
The InChIKey is KPMNGFOGXPGUIM-IFUPQEAVSA-N. The full InChI is InChI=1S/C27H23F3N6O.C27H25N7O.C25H23N7O/c1-15-9-17-12-35(26(37)19(17)10-22(15)34-13-21(32-14-34)16-5-6-16)24-4-2-3-20(33-24)25-31-11-18-7-8-23(36(18)25)27(28,29)30;1-16-11-18-13-33(26(35)19(18)12-22(16)32-14-21(28-15-32)17-5-6-17)23-4-2-3-20(29-23)25-31-30-24-7-8-27(9-10-27)34(24)25;1-15-10-17-12-32(22-5-2-4-19(27-22)24-29-28-23-6-3-9-31(23)24)25(33)18(17)11-21(15)30-13-20(26-14-30)16-7-8-16/h2-4,9-11,13-14,16,23H,5-8,12H2,1H3;2-4,11-12,14-15,17H,5-10,13H2,1H3;2,4-5,10-11,13-14,16H,3,6-9,12H2,1H3/t23-;;/m0../s1.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one?
6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one has a molecular weight of 1405.57 g/mol, XLogP of 13.65, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one;6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one is sourced from PubChem (CID 159202747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).