1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one

C107H111N39O15S3 — CID 162233932

IUPAC1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one
SMILESC.C.C.C.C.C.C.C.O=C1CC=Nc2[nH]c3ccccc3c21.O=C1CC=Nc2[nH]ccc21.O=C1CC=Nc2c1cc1n2CCC1.O=C1CC=Nc2cccnc21.O=C1CC=Nc2cscc21.O=C1CC=Nc2nc[nH]c21.O=c1[nH]cnc2[nH]ncc12.O=c1[nH]cnc2c1cc1cccnn12.O=c1[nH]cnc2c1cc1n2CCCC1.O=c1[nH]cnc2cc[nH]c12.O=c1[nH]cnc2cnoc12.O=c1[nH]cnc2cnsc12.O=c1[nH]cnc2n[nH]nc12.O=c1[nH]cnc2sccc12
InChIInChI=1S/C11H8N2O.C10H11N3O.C10H10N2O.C9H6N4O.C8H6N2O.C7H6N2O.C7H5NOS.2C6H5N3O.C6H4N2OS.C5H4N4O.C5H3N3O2.C5H3N3OS.C4H3N5O.8CH4/c14-9-5-6-12-11-10(9)7-3-1-2-4-8(7)13-11;14-10-8-5-7-3-1-2-4-13(7)9(8)11-6-12-10;13-9-3-4-11-10-8(9)6-7-2-1-5-12(7)10;14-9-7-4-6-2-1-3-12-13(6)8(7)10-5-11-9;11-7-3-5-9-6-2-1-4-10-8(6)7;10-6-2-4-9-7-5(6)1-3-8-7;9-7-1-2-8-6-4-10-3-5(6)7;10-4-1-2-7-6-5(4)8-3-9-6;10-6-5-4(1-2-7-5)8-3-9-6;9-5-4-1-2-10-6(4)8-3-7-5;10-5-3-1-8-9-4(3)6-2-7-5;2*9-5-4-3(1-8-10-4)6-2-7-5;10-4-2-3(5-1-6-4)8-9-7-2;;;;;;;;/h1-4,6,13H,5H2;5-6H,1-4H2,(H,11,12,14);4,6H,1-3,5H2;1-5H,(H,10,11,14);1-2,4-5H,3H2;1,3-4,8H,2H2;2-4H,1H2;2-3H,1H2,(H,8,9);1-3,7H,(H,8,9,10);1-3H,(H,7,8,9);1-2H,(H2,6,7,8,9,10);2*1-2H,(H,6,7,9);1H,(H2,5,6,7,8,9,10);8*1H4
InChIKeyZVUTXYLKLJOROQ-UHFFFAOYSA-N
MW2279.52 g/mol
LogP16.52
Rot. Bonds

About 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one

1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 162233932) has the molecular formula C107H111N39O15S3 and a molecular weight of 2279.52 g/mol. Its IUPAC name is 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID162233932
Molecular FormulaC107H111N39O15S3
Molecular Weight2279.52 g/mol
Exact Mass2277.83
IUPAC Name1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one
SMILESC.C.C.C.C.C.C.C.O=C1CC=Nc2[nH]c3ccccc3c21.O=C1CC=Nc2[nH]ccc21.O=C1CC=Nc2c1cc1n2CCC1.O=C1CC=Nc2cccnc21.O=C1CC=Nc2cscc21.O=C1CC=Nc2nc[nH]c21.O=c1[nH]cnc2[nH]ncc12.O=c1[nH]cnc2c1cc1cccnn12.O=c1[nH]cnc2c1cc1n2CCCC1.O=c1[nH]cnc2cc[nH]c12.O=c1[nH]cnc2cnoc12.O=c1[nH]cnc2cnsc12.O=c1[nH]cnc2n[nH]nc12.O=c1[nH]cnc2sccc12
InChIInChI=1S/C11H8N2O.C10H11N3O.C10H10N2O.C9H6N4O.C8H6N2O.C7H6N2O.C7H5NOS.2C6H5N3O.C6H4N2OS.C5H4N4O.C5H3N3O2.C5H3N3OS.C4H3N5O.8CH4/c14-9-5-6-12-11-10(9)7-3-1-2-4-8(7)13-11;14-10-8-5-7-3-1-2-4-13(7)9(8)11-6-12-10;13-9-3-4-11-10-8(9)6-7-2-1-5-12(7)10;14-9-7-4-6-2-1-3-12-13(6)8(7)10-5-11-9;11-7-3-5-9-6-2-1-4-10-8(6)7;10-6-2-4-9-7-5(6)1-3-8-7;9-7-1-2-8-6-4-10-3-5(6)7;10-4-1-2-7-6-5(4)8-3-9-6;10-6-5-4(1-2-7-5)8-3-9-6;9-5-4-1-2-10-6(4)8-3-7-5;10-5-3-1-8-9-4(3)6-2-7-5;2*9-5-4-3(1-8-10-4)6-2-7-5;10-4-2-3(5-1-6-4)8-9-7-2;;;;;;;;/h1-4,6,13H,5H2;5-6H,1-4H2,(H,11,12,14);4,6H,1-3,5H2;1-5H,(H,10,11,14);1-2,4-5H,3H2;1,3-4,8H,2H2;2-4H,1H2;2-3H,1H2,(H,8,9);1-3,7H,(H,8,9,10);1-3H,(H,7,8,9);1-2H,(H2,6,7,8,9,10);2*1-2H,(H,6,7,9);1H,(H2,5,6,7,8,9,10);8*1H4
InChIKeyZVUTXYLKLJOROQ-UHFFFAOYSA-N
XLogP16.52
TPSA767.85 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002279.52
LogP ≤ 516.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

Analyze 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-b]pyridin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;1,6-dihydropyrrolo[3,2-b]pyridin-7-one;2,6-dihydrotriazolo[4,5-b]pyridin-7-one;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-b]pyridin-7-one;6,7,8,9-tetrahydro-3H-pyrido[3,2-b]indolizin-4-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6H-[1,2]thiazolo[4,5-b]pyridin-7-one;3H-thieno[3,4-b]pyridin-4-one;5H-thieno[2,3-b]pyridin-4-one;1,3,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one
CID 161222453
CID 161389430
CID 161389430
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethyl-1,2-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1,2,5-oxadiazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 162276018
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethyl-1,2-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1,2,5-oxadiazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 162276020
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethyl-1,2-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1,2,5-oxadiazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;[(2S)-2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 162276021
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethyl-1,2-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1,2,5-oxadiazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 162287449
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethyl-1,2-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1,2,5-oxadiazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 162287508
N-[4-[1-[[3-[1-[2-(12-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetyl]piperidin-4-yl]-1,2-oxazol-5-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166354560

Frequently Asked Questions

What is the IUPAC name of 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one (CID 162233932) is 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one is C.C.C.C.C.C.C.C.O=C1CC=Nc2[nH]c3ccccc3c21.O=C1CC=Nc2[nH]ccc21.O=C1CC=Nc2c1cc1n2CCC1.O=C1CC=Nc2cccnc21.O=C1CC=Nc2cscc21.O=C1CC=Nc2nc[nH]c21.O=c1[nH]cnc2[nH]ncc12.O=c1[nH]cnc2c1cc1cccnn12.O=c1[nH]cnc2c1cc1n2CCCC1.O=c1[nH]cnc2cc[nH]c12.O=c1[nH]cnc2cnoc12.O=c1[nH]cnc2cnsc12.O=c1[nH]cnc2n[nH]nc12.O=c1[nH]cnc2sccc12.
What is the InChIKey of 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZVUTXYLKLJOROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O.C10H11N3O.C10H10N2O.C9H6N4O.C8H6N2O.C7H6N2O.C7H5NOS.2C6H5N3O.C6H4N2OS.C5H4N4O.C5H3N3O2.C5H3N3OS.C4H3N5O.8CH4/c14-9-5-6-12-11-10(9)7-3-1-2-4-8(7)13-11;14-10-8-5-7-3-1-2-4-13(7)9(8)11-6-12-10;13-9-3-4-11-10-8(9)6-7-2-1-5-12(7)10;14-9-7-4-6-2-1-3-12-13(6)8(7)10-5-11-9;11-7-3-5-9-6-2-1-4-10-8(6)7;10-6-2-4-9-7-5(6)1-3-8-7;9-7-1-2-8-6-4-10-3-5(6)7;10-4-1-2-7-6-5(4)8-3-9-6;10-6-5-4(1-2-7-5)8-3-9-6;9-5-4-1-2-10-6(4)8-3-7-5;10-5-3-1-8-9-4(3)6-2-7-5;2*9-5-4-3(1-8-10-4)6-2-7-5;10-4-2-3(5-1-6-4)8-9-7-2;;;;;;;;/h1-4,6,13H,5H2;5-6H,1-4H2,(H,11,12,14);4,6H,1-3,5H2;1-5H,(H,10,11,14);1-2,4-5H,3H2;1,3-4,8H,2H2;2-4H,1H2;2-3H,1H2,(H,8,9);1-3,7H,(H,8,9,10);1-3H,(H,7,8,9);1-2H,(H2,6,7,8,9,10);2*1-2H,(H,6,7,9);1H,(H2,5,6,7,8,9,10);8*1H4.
What are the key properties of 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one?
1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 2279.52 g/mol, XLogP of 16.52, 0 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydroimidazo[4,5-b]pyridin-7-one;1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,9-dihydropyrido[2,3-b]indol-4-one;1,5-dihydropyrrolo[2,3-b]pyridin-4-one;3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one;methane;3H-1,5-naphthyridin-4-one;6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one;3,6,7,8-tetrahydropyrido[3,2-b]pyrrolizin-4-one;6,7,8,9-tetrahydro-3H-pyrimido[5,4-b]indolizin-4-one;1,3,5,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8,10,12-pentaen-6-one;6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one;3H-thieno[3,4-b]pyridin-4-one;3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162233932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).