6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one

C139H112FN39O6 — CID 158514653

IUPAC6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one
SMILESCc1cncc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1.Cn1ccnc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3ccccn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cnc(C4CC4)nc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cncc(F)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C25H21N7O.C24H20N6O.C23H17FN6O.C23H18N6O.C22H19N7O.C22H17N7O/c33-25-20-10-16(18-11-26-23(27-12-18)15-4-5-15)6-7-17(20)13-31(25)22-3-1-2-21(29-22)24-30-28-14-32(24)19-8-9-19;1-15-9-18(12-25-11-15)16-5-6-17-13-29(24(31)20(17)10-16)22-4-2-3-21(27-22)23-28-26-14-30(23)19-7-8-19;24-17-8-16(10-25-11-17)14-4-5-15-12-29(23(31)19(15)9-14)21-3-1-2-20(27-21)22-28-26-13-30(22)18-6-7-18;30-23-18-12-15(19-4-1-2-11-24-19)7-8-16(18)13-28(23)21-6-3-5-20(26-21)22-27-25-14-29(22)17-9-10-17;1-27-10-9-23-20(27)14-5-6-15-12-28(22(30)17(15)11-14)19-4-2-3-18(25-19)21-26-24-13-29(21)16-7-8-16;30-22-17-11-14(18-4-2-10-23-26-18)6-7-15(17)12-28(22)20-5-1-3-19(25-20)21-27-24-13-29(21)16-8-9-16/h1-3,6-7,10-12,14-15,19H,4-5,8-9,13H2;2-6,9-12,14,19H,7-8,13H2,1H3;1-5,8-11,13,18H,6-7,12H2;1-8,11-12,14,17H,9-10,13H2;2-6,9-11,13,16H,7-8,12H2,1H3;1-7,10-11,13,16H,8-9,12H2
InChIKeyHLMDKJAPALISAP-UHFFFAOYSA-N
MW2443.69 g/mol
LogP22.84
Rot. Bonds25

About 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one

6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one (PubChem CID 158514653) has the molecular formula C139H112FN39O6 and a molecular weight of 2443.69 g/mol. Its IUPAC name is 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one
PubChem CID158514653
Molecular FormulaC139H112FN39O6
Molecular Weight2443.69 g/mol
Exact Mass2441.96
IUPAC Name6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one
SMILESCc1cncc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1.Cn1ccnc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3ccccn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cnc(C4CC4)nc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cncc(F)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C25H21N7O.C24H20N6O.C23H17FN6O.C23H18N6O.C22H19N7O.C22H17N7O/c33-25-20-10-16(18-11-26-23(27-12-18)15-4-5-15)6-7-17(20)13-31(25)22-3-1-2-21(29-22)24-30-28-14-32(24)19-8-9-19;1-15-9-18(12-25-11-15)16-5-6-17-13-29(24(31)20(17)10-16)22-4-2-3-21(27-22)23-28-26-14-30(23)19-7-8-19;24-17-8-16(10-25-11-17)14-4-5-15-12-29(23(31)19(15)9-14)21-3-1-2-20(27-21)22-28-26-13-30(22)18-6-7-18;30-23-18-12-15(19-4-1-2-11-24-19)7-8-16(18)13-28(23)21-6-3-5-20(26-21)22-27-25-14-29(22)17-9-10-17;1-27-10-9-23-20(27)14-5-6-15-12-28(22(30)17(15)11-14)19-4-2-3-18(25-19)21-26-24-13-29(21)16-7-8-16;30-22-17-11-14(18-4-2-10-23-26-18)6-7-15(17)12-28(22)20-5-1-3-19(25-20)21-27-24-13-29(21)16-8-9-16/h1-3,6-7,10-12,14-15,19H,4-5,8-9,13H2;2-6,9-12,14,19H,7-8,13H2,1H3;1-5,8-11,13,18H,6-7,12H2;1-8,11-12,14,17H,9-10,13H2;2-6,9-11,13,16H,7-8,12H2,1H3;1-7,10-11,13,16H,8-9,12H2
InChIKeyHLMDKJAPALISAP-UHFFFAOYSA-N
XLogP22.84
TPSA491.51 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds25
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002443.69
LogP ≤ 522.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-(6-(1-(1-(2-aminoacetyl)piperidin-4-yl)-2-cyclopropyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 90246264
1-cyclopropyl-N-[[4-[2-[[1-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]amino]-5-fluoropyrimidin-4-yl]-2-methylphenyl]methyl]triazole-4-carboxamide
CID 177645585
US12473304, Example 284
CID 156828770
US12473304, Example 46
CID 156828823
US12473304, Example 285
CID 156828872
US12473304, Example 42
CID 156829184
2-[(4-fluorophenyl)methyl]-5-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one
CID 22032460
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90758816
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90773520
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91467421
2-cyclopropyl-6-[3-[1-[[2-[5-[3-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazol-1-yl]-1-fluorocyclopentyl]methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-3H-isoindol-1-one
CID 137388703
5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methylpyridin-3-yl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methylpyridin-3-yl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
CID 137390007

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one?
The IUPAC name of 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one (CID 158514653) is 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one?
The canonical SMILES for 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one is Cc1cncc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1.Cn1ccnc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3ccccn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cnc(C4CC4)nc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cncc(F)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one?
The InChIKey is HLMDKJAPALISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O.C24H20N6O.C23H17FN6O.C23H18N6O.C22H19N7O.C22H17N7O/c33-25-20-10-16(18-11-26-23(27-12-18)15-4-5-15)6-7-17(20)13-31(25)22-3-1-2-21(29-22)24-30-28-14-32(24)19-8-9-19;1-15-9-18(12-25-11-15)16-5-6-17-13-29(24(31)20(17)10-16)22-4-2-3-21(27-22)23-28-26-14-30(23)19-7-8-19;24-17-8-16(10-25-11-17)14-4-5-15-12-29(23(31)19(15)9-14)21-3-1-2-20(27-21)22-28-26-13-30(22)18-6-7-18;30-23-18-12-15(19-4-1-2-11-24-19)7-8-16(18)13-28(23)21-6-3-5-20(26-21)22-27-25-14-29(22)17-9-10-17;1-27-10-9-23-20(27)14-5-6-15-12-28(22(30)17(15)11-14)19-4-2-3-18(25-19)21-26-24-13-29(21)16-7-8-16;30-22-17-11-14(18-4-2-10-23-26-18)6-7-15(17)12-28(22)20-5-1-3-19(25-20)21-27-24-13-29(21)16-8-9-16/h1-3,6-7,10-12,14-15,19H,4-5,8-9,13H2;2-6,9-12,14,19H,7-8,13H2,1H3;1-5,8-11,13,18H,6-7,12H2;1-8,11-12,14,17H,9-10,13H2;2-6,9-11,13,16H,7-8,12H2,1H3;1-7,10-11,13,16H,8-9,12H2.
What are the key properties of 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one?
6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one has a molecular weight of 2443.69 g/mol, XLogP of 22.84, 25 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylpyrimidin-5-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridazin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 158514653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).