6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one

C136H111N31O15S — CID 161354646

IUPAC6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc(-n5nccc5N)cc4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc5ccnn5c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc5nccn5c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc5ncsc5c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccn5nccc5n4)cc3C2=O)n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H25N7O.2C26H22N6O.C26H21N5OS.C25H21N7O.5CO2/c1-18(2)33-15-14-30-27(33)24-4-3-5-26(32-24)34-17-21-7-6-20(16-23(21)28(34)36)19-8-10-22(11-9-19)35-25(29)12-13-31-35;1-17(2)31-13-11-28-25(31)22-4-3-5-24(29-22)32-16-20-7-6-18(14-21(20)26(32)33)19-8-9-23-27-10-12-30(23)15-19;1-17(2)30-13-12-27-25(30)23-4-3-5-24(29-23)31-15-20-7-6-18(14-22(20)26(31)33)19-8-9-21-10-11-28-32(21)16-19;1-16(2)30-11-10-27-25(30)22-4-3-5-24(29-22)31-14-19-7-6-17(12-20(19)26(31)32)18-8-9-21-23(13-18)33-15-28-21;1-16(2)30-13-11-26-24(30)21-4-3-5-22(29-21)31-15-18-7-6-17(14-19(18)25(31)33)20-9-12-32-23(28-20)8-10-27-32;5*2-1-3/h3-16,18H,17,29H2,1-2H3;3-15,17H,16H2,1-2H3;3-14,16-17H,15H2,1-2H3;3-13,15-16H,14H2,1-2H3;3-14,16H,15H2,1-2H3;;;;;
InChIKeyVOJLNOLMDDBCIS-UHFFFAOYSA-N
MW2451.65 g/mol
LogP22.57
Rot. Bonds21

About 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one

6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one (PubChem CID 161354646) has the molecular formula C136H111N31O15S and a molecular weight of 2451.65 g/mol. Its IUPAC name is 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one
PubChem CID161354646
Molecular FormulaC136H111N31O15S
Molecular Weight2451.65 g/mol
Exact Mass2449.86
IUPAC Name6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc(-n5nccc5N)cc4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc5ccnn5c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc5nccn5c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc5ncsc5c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccn5nccc5n4)cc3C2=O)n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H25N7O.2C26H22N6O.C26H21N5OS.C25H21N7O.5CO2/c1-18(2)33-15-14-30-27(33)24-4-3-5-26(32-24)34-17-21-7-6-20(16-23(21)28(34)36)19-8-10-22(11-9-19)35-25(29)12-13-31-35;1-17(2)31-13-11-28-25(31)22-4-3-5-24(29-22)32-16-20-7-6-18(14-21(20)26(32)33)19-8-9-23-27-10-12-30(23)15-19;1-17(2)30-13-12-27-25(30)23-4-3-5-24(29-23)31-15-20-7-6-18(14-22(20)26(31)33)19-8-9-21-10-11-28-32(21)16-19;1-16(2)30-11-10-27-25(30)22-4-3-5-24(29-22)31-14-19-7-6-17(12-20(19)26(31)32)18-8-9-21-23(13-18)33-15-28-21;1-16(2)30-13-11-26-24(30)21-4-3-5-22(29-21)31-15-18-7-6-17(14-19(18)25(31)33)20-9-12-32-23(28-20)8-10-27-32;5*2-1-3/h3-16,18H,17,29H2,1-2H3;3-15,17H,16H2,1-2H3;3-14,16-17H,15H2,1-2H3;3-13,15-16H,14H2,1-2H3;3-14,16H,15H2,1-2H3;;;;;
InChIKeyVOJLNOLMDDBCIS-UHFFFAOYSA-N
XLogP22.57
TPSA547.32 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds21
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002451.65
LogP ≤ 522.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one with MolForge

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Related Compounds

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505536
2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505835
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[(1R,4R)-5-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505940
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156506017
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]piperazin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515684
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[(3R,4S)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515687
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515747
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515884
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515923
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]ethyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156516236
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 158964881
3-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;N-ethyl-2-fluoro-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-N-methyl-4-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 159522818

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one?
The IUPAC name of 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one (CID 161354646) is 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one.
What is the SMILES notation for 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one?
The canonical SMILES for 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one is CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc(-n5nccc5N)cc4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc5ccnn5c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc5nccn5c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccc5ncsc5c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4ccn5nccc5n4)cc3C2=O)n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one?
The InChIKey is VOJLNOLMDDBCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O.2C26H22N6O.C26H21N5OS.C25H21N7O.5CO2/c1-18(2)33-15-14-30-27(33)24-4-3-5-26(32-24)34-17-21-7-6-20(16-23(21)28(34)36)19-8-10-22(11-9-19)35-25(29)12-13-31-35;1-17(2)31-13-11-28-25(31)22-4-3-5-24(29-22)32-16-20-7-6-18(14-21(20)26(32)33)19-8-9-23-27-10-12-30(23)15-19;1-17(2)30-13-12-27-25(30)23-4-3-5-24(29-23)31-15-20-7-6-18(14-22(20)26(31)33)19-8-9-21-10-11-28-32(21)16-19;1-16(2)30-11-10-27-25(30)22-4-3-5-24(29-22)31-14-19-7-6-17(12-20(19)26(31)32)18-8-9-21-23(13-18)33-15-28-21;1-16(2)30-13-11-26-24(30)21-4-3-5-22(29-21)31-15-18-7-6-17(14-19(18)25(31)33)20-9-12-32-23(28-20)8-10-27-32;5*2-1-3/h3-16,18H,17,29H2,1-2H3;3-15,17H,16H2,1-2H3;3-14,16-17H,15H2,1-2H3;3-13,15-16H,14H2,1-2H3;3-14,16H,15H2,1-2H3;;;;;.
What are the key properties of 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one?
6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one has a molecular weight of 2451.65 g/mol, XLogP of 22.57, 21 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one is sourced from PubChem (CID 161354646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).