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

C107H87N31O15S3 — CID 161222453

IUPAC1,6-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
SMILESO=C1CC=Nc2[nH]c3ccccc3c21.O=C1CC=Nc2[nH]ccc21.O=C1CC=Nc2[nH]ncc21.O=C1CC=Nc2c1cc1cccnn21.O=C1CC=Nc2c1cc1n2CCC1.O=C1CC=Nc2c1cc1n2CCCC1.O=C1CC=Nc2cc[nH]c21.O=C1CC=Nc2cccnc21.O=C1CC=Nc2cnoc21.O=C1CC=Nc2cnsc21.O=C1CC=Nc2cscc21.O=C1CC=Nc2n[nH]nc21.O=C1CC=Nc2nc[nH]c21.O=C1CC=Nc2sccc21
InChIInChI=1S/C11H12N2O.C11H8N2O.C10H7N3O.C10H10N2O.C8H6N2O.2C7H6N2O.2C7H5NOS.2C6H5N3O.C6H4N2O2.C6H4N2OS.C5H4N4O/c14-10-4-5-12-11-9(10)7-8-3-1-2-6-13(8)11;14-9-5-6-12-11-10(9)7-3-1-2-4-8(7)13-11;14-9-3-5-11-10-8(9)6-7-2-1-4-12-13(7)10;13-9-3-4-11-10-8(9)6-7-2-1-5-12(7)10;11-7-3-5-9-6-2-1-4-10-8(6)7;10-6-2-4-8-5-1-3-9-7(5)6;10-6-2-4-9-7-5(6)1-3-8-7;9-6-1-3-8-7-5(6)2-4-10-7;9-7-1-2-8-6-4-10-3-5(6)7;10-5-1-2-7-6-4(5)3-8-9-6;10-4-1-2-7-6-5(4)8-3-9-6;2*9-5-1-2-7-4-3-8-10-6(4)5;10-3-1-2-6-5-4(3)7-9-8-5/h5,7H,1-4,6H2;1-4,6,13H,5H2;1-2,4-6H,3H2;4,6H,1-3,5H2;1-2,4-5H,3H2;1,3-4,9H,2H2;1,3-4,8H,2H2;2*2-4H,1H2;2*2-3H,1H2,(H,8,9);2*2-3H,1H2;2H,1H2,(H,7,8,9)
InChIKeyUXRSQUKQSOUEMU-UHFFFAOYSA-N
MW2143.28 g/mol
LogP19.85
Rot. Bonds

About 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

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 (PubChem CID 161222453) has the molecular formula C107H87N31O15S3 and a molecular weight of 2143.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,6-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
PubChem CID161222453
Molecular FormulaC107H87N31O15S3
Molecular Weight2143.28 g/mol
Exact Mass2141.62
IUPAC Name1,6-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
SMILESO=C1CC=Nc2[nH]c3ccccc3c21.O=C1CC=Nc2[nH]ccc21.O=C1CC=Nc2[nH]ncc21.O=C1CC=Nc2c1cc1cccnn21.O=C1CC=Nc2c1cc1n2CCC1.O=C1CC=Nc2c1cc1n2CCCC1.O=C1CC=Nc2cc[nH]c21.O=C1CC=Nc2cccnc21.O=C1CC=Nc2cnoc21.O=C1CC=Nc2cnsc21.O=C1CC=Nc2cscc21.O=C1CC=Nc2n[nH]nc21.O=C1CC=Nc2nc[nH]c21.O=C1CC=Nc2sccc21
InChIInChI=1S/C11H12N2O.C11H8N2O.C10H7N3O.C10H10N2O.C8H6N2O.2C7H6N2O.2C7H5NOS.2C6H5N3O.C6H4N2O2.C6H4N2OS.C5H4N4O/c14-10-4-5-12-11-9(10)7-8-3-1-2-6-13(8)11;14-9-5-6-12-11-10(9)7-3-1-2-4-8(7)13-11;14-9-3-5-11-10-8(9)6-7-2-1-4-12-13(7)10;13-9-3-4-11-10-8(9)6-7-2-1-5-12(7)10;11-7-3-5-9-6-2-1-4-10-8(6)7;10-6-2-4-8-5-1-3-9-7(5)6;10-6-2-4-9-7-5(6)1-3-8-7;9-6-1-3-8-7-5(6)2-4-10-7;9-7-1-2-8-6-4-10-3-5(6)7;10-5-1-2-7-6-4(5)3-8-9-6;10-4-1-2-7-6-5(4)8-3-9-6;2*9-5-1-2-7-4-3-8-10-6(4)5;10-3-1-2-6-5-4(3)7-9-8-5/h5,7H,1-4,6H2;1-4,6,13H,5H2;1-2,4-6H,3H2;4,6H,1-3,5H2;1-2,4-5H,3H2;1,3-4,9H,2H2;1,3-4,8H,2H2;2*2-4H,1H2;2*2-3H,1H2,(H,8,9);2*2-3H,1H2;2H,1H2,(H,7,8,9)
InChIKeyUXRSQUKQSOUEMU-UHFFFAOYSA-N
XLogP19.85
TPSA637.29 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002143.28
LogP ≤ 519.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Analyze 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 with MolForge

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Related Compounds

1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine
CID 159048173
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
[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CC=Nc2[nH]c3ccccc3c21.O=C1CC=Nc2[nH]ccc21.O=C1CC=Nc2[nH]ncc21.O=C1CC=Nc2c1cc1cccnn21.O=C1CC=Nc2c1cc1n2CCC1.O=C1CC=Nc2c1cc1n2CCCC1.O=C1CC=Nc2cc[nH]c21.O=C1CC=Nc2cccnc21.O=C1CC=Nc2cnoc21.O=C1CC=Nc2cnsc21.O=C1CC=Nc2cscc21.O=C1CC=Nc2n[nH]nc21.O=C1CC=Nc2nc[nH]c21.O=C1CC=Nc2sccc21.
What is the InChIKey of 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?
The InChIKey is UXRSQUKQSOUEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C11H8N2O.C10H7N3O.C10H10N2O.C8H6N2O.2C7H6N2O.2C7H5NOS.2C6H5N3O.C6H4N2O2.C6H4N2OS.C5H4N4O/c14-10-4-5-12-11-9(10)7-8-3-1-2-6-13(8)11;14-9-5-6-12-11-10(9)7-3-1-2-4-8(7)13-11;14-9-3-5-11-10-8(9)6-7-2-1-4-12-13(7)10;13-9-3-4-11-10-8(9)6-7-2-1-5-12(7)10;11-7-3-5-9-6-2-1-4-10-8(6)7;10-6-2-4-8-5-1-3-9-7(5)6;10-6-2-4-9-7-5(6)1-3-8-7;9-6-1-3-8-7-5(6)2-4-10-7;9-7-1-2-8-6-4-10-3-5(6)7;10-5-1-2-7-6-4(5)3-8-9-6;10-4-1-2-7-6-5(4)8-3-9-6;2*9-5-1-2-7-4-3-8-10-6(4)5;10-3-1-2-6-5-4(3)7-9-8-5/h5,7H,1-4,6H2;1-4,6,13H,5H2;1-2,4-6H,3H2;4,6H,1-3,5H2;1-2,4-5H,3H2;1,3-4,9H,2H2;1,3-4,8H,2H2;2*2-4H,1H2;2*2-3H,1H2,(H,8,9);2*2-3H,1H2;2H,1H2,(H,7,8,9).
What are the key properties of 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?
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 has a molecular weight of 2143.28 g/mol, XLogP of 19.85, 0 rotatable bonds, 6 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-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 is sourced from PubChem (CID 161222453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).