3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine

C183H250N60O5S — CID 159672426

IUPAC3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1NCCc2ncccc21.O=C1NCc2ccccc21.O=c1[nH]c2ccccc2s1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2cn[nH]c2cn1.c1cc2n[nH]nc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2n1.c1cnc2cc[nH]c2c1.c1cnc2cn[nH]c2c1.c1cnc2n[nH]nc2c1.c1cnc2n[nH]nc2n1.c1ncc2[nH]ncc2n1.c1ncc2cn[nH]c2n1.c1ncc2n[nH]nc2n1
InChIInChI=1S/C9H9NO.C8H8N2O.2C8H7NO.C8H7N.4C7H6N2.C7H5NOS.5C6H5N3.5C5H4N4.2C4H3N5.22C2H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;11-8-6-2-1-4-9-7(6)3-5-10-8;10-8-7-4-2-1-3-6(7)5-9-8;10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;9-7-8-5-3-1-2-4-6(5)10-7;1-2-7-3-5-4-8-9-6(1)5;1-2-7-4-6-5(1)3-8-9-6;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;1-5-4(2-8-9-5)7-3-6-1;1-4-2-8-9-5(4)7-3-6-1;1-2-7-5-4(6-1)3-8-9-5;1-2-6-3-5-4(1)7-9-8-5;1-2-4-5(6-3-1)8-9-7-4;1-3-4(6-2-5-1)8-9-7-3;1-2-6-4-3(5-1)7-9-8-4;22*1-2/h1-4H,5-6H2,(H,10,11);1-2,4H,3,5H2,(H,10,11);2*1-4H,5H2,(H,9,10);1-6,9H;2*1-5,9H;2*1-5H,(H,8,9);1-4H,(H,8,9);3*1-4H,(H,8,9);2*1-4H,(H,7,8,9);1-3H,(H,8,9);1-3H,(H,6,7,8,9);2*1-3H,(H,7,8,9);1-3H,(H,6,7,8,9);2*1-2H,(H,5,6,7,8,9);22*1-2H3
InChIKeyMUDYIXONWWLBHM-UHFFFAOYSA-N
MW3402.49 g/mol
LogP42.69
Rot. Bonds

About 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine

3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine (PubChem CID 159672426) has the molecular formula C183H250N60O5S and a molecular weight of 3402.49 g/mol. Its IUPAC name is 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
PubChem CID159672426
Molecular FormulaC183H250N60O5S
Molecular Weight3402.49 g/mol
Exact Mass3400.09
IUPAC Name3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1NCCc2ncccc21.O=C1NCc2ccccc21.O=c1[nH]c2ccccc2s1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2cn[nH]c2cn1.c1cc2n[nH]nc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2n1.c1cnc2cc[nH]c2c1.c1cnc2cn[nH]c2c1.c1cnc2n[nH]nc2c1.c1cnc2n[nH]nc2n1.c1ncc2[nH]ncc2n1.c1ncc2cn[nH]c2n1.c1ncc2n[nH]nc2n1
InChIInChI=1S/C9H9NO.C8H8N2O.2C8H7NO.C8H7N.4C7H6N2.C7H5NOS.5C6H5N3.5C5H4N4.2C4H3N5.22C2H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;11-8-6-2-1-4-9-7(6)3-5-10-8;10-8-7-4-2-1-3-6(7)5-9-8;10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;9-7-8-5-3-1-2-4-6(5)10-7;1-2-7-3-5-4-8-9-6(1)5;1-2-7-4-6-5(1)3-8-9-6;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;1-5-4(2-8-9-5)7-3-6-1;1-4-2-8-9-5(4)7-3-6-1;1-2-7-5-4(6-1)3-8-9-5;1-2-6-3-5-4(1)7-9-8-5;1-2-4-5(6-3-1)8-9-7-4;1-3-4(6-2-5-1)8-9-7-3;1-2-6-4-3(5-1)7-9-8-4;22*1-2/h1-4H,5-6H2,(H,10,11);1-2,4H,3,5H2,(H,10,11);2*1-4H,5H2,(H,9,10);1-6,9H;2*1-5,9H;2*1-5H,(H,8,9);1-4H,(H,8,9);3*1-4H,(H,8,9);2*1-4H,(H,7,8,9);1-3H,(H,8,9);1-3H,(H,6,7,8,9);2*1-3H,(H,7,8,9);1-3H,(H,6,7,8,9);2*1-2H,(H,5,6,7,8,9);22*1-2H3
InChIKeyMUDYIXONWWLBHM-UHFFFAOYSA-N
XLogP42.69
TPSA907.51 Ų
H-Bond Donors22
H-Bond Acceptors44
Rotatable Bonds
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003402.49
LogP ≤ 542.69
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1044

Analyze 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine with MolForge

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Related Compounds

N-[5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 137029757
5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroquinazolin-8-yl]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 145308775
methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
1H-benzimidazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[2-(1,1-difluoroethyl)-3-fluorophenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;isoquinolin-8-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone
CID 158086590
5-[4-(4-cyclohexylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-(2,2-difluoropropyl)-3H-isoindol-1-one;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
CID 158091279
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 158388376
imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158614349
imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159141124
3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160413058
CID 160530006
CID 160530006
5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one
CID 160792729
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 160978215

Frequently Asked Questions

What is the IUPAC name of 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine?
The IUPAC name of 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine (CID 159672426) is 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine?
The canonical SMILES for 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1NCCc2ncccc21.O=C1NCc2ccccc21.O=c1[nH]c2ccccc2s1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2cn[nH]c2cn1.c1cc2n[nH]nc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2n1.c1cnc2cc[nH]c2c1.c1cnc2cn[nH]c2c1.c1cnc2n[nH]nc2c1.c1cnc2n[nH]nc2n1.c1ncc2[nH]ncc2n1.c1ncc2cn[nH]c2n1.c1ncc2n[nH]nc2n1.
What is the InChIKey of 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine?
The InChIKey is MUDYIXONWWLBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C8H8N2O.2C8H7NO.C8H7N.4C7H6N2.C7H5NOS.5C6H5N3.5C5H4N4.2C4H3N5.22C2H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;11-8-6-2-1-4-9-7(6)3-5-10-8;10-8-7-4-2-1-3-6(7)5-9-8;10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;9-7-8-5-3-1-2-4-6(5)10-7;1-2-7-3-5-4-8-9-6(1)5;1-2-7-4-6-5(1)3-8-9-6;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;1-5-4(2-8-9-5)7-3-6-1;1-4-2-8-9-5(4)7-3-6-1;1-2-7-5-4(6-1)3-8-9-5;1-2-6-3-5-4(1)7-9-8-5;1-2-4-5(6-3-1)8-9-7-4;1-3-4(6-2-5-1)8-9-7-3;1-2-6-4-3(5-1)7-9-8-4;22*1-2/h1-4H,5-6H2,(H,10,11);1-2,4H,3,5H2,(H,10,11);2*1-4H,5H2,(H,9,10);1-6,9H;2*1-5,9H;2*1-5H,(H,8,9);1-4H,(H,8,9);3*1-4H,(H,8,9);2*1-4H,(H,7,8,9);1-3H,(H,8,9);1-3H,(H,6,7,8,9);2*1-3H,(H,7,8,9);1-3H,(H,6,7,8,9);2*1-2H,(H,5,6,7,8,9);22*1-2H3.
What are the key properties of 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine?
3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine has a molecular weight of 3402.49 g/mol, XLogP of 42.69, 0 rotatable bonds, 22 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 159672426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).