3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one

C152H190ClF2N49O10 — CID 157291073

IUPAC3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
SMILESCC(C)C1=CCC2=C1N=CCC2=O.CC(C)c1cn(C)c2c(N)ccnc12.CC(C)c1cn(C)c2cccnc12.CC(C)n1cc(Cl)c2c1N=CCC2=O.CC(C)n1cc(F)c2c(=O)n(C)cnc21.CC(C)n1cc(F)c2c1N=CCC2=O.CC(C)n1ccc2c1N=CCC2=O.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)ccnc21.CC(C)n1nnc2c1N=CCC2=O.CC(C)n1nnc2cccnc21.Cc1nc2c(c(=O)[nH]1)CC=C2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H15N3.C11H14N2O.C11H14N2.C11H13NO.C10H11ClN2O.C10H12FN3O.C10H11FN2O.C10H12N2O.C9H12N4O.C9H12N4.C9H11N3O.C9H11N3.C8H11N5O.C8H11N5.C8H10N4O.C8H10N4/c1-7(2)8-6-14(3)11-9(12)4-5-13-10(8)11;1-6(2)8-4-5-9-10(8)12-7(3)13-11(9)14;1-8(2)9-7-13(3)10-5-4-6-12-11(9)10;1-7(2)8-3-4-9-10(13)5-6-12-11(8)9;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-6(2)14-4-7(11)8-9(14)12-5-13(3)10(8)15;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-7(2)12-6-4-8-9(13)3-5-11-10(8)12;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-8-7(10-11-12)6(13)3-4-9-8;1-6(2)12-8-7(10-11-12)4-3-5-9-8/h4-7H,1-3H3,(H2,12,13);4,6H,5H2,1-3H3,(H,12,13,14);4-8H,1-3H3;3,6-7H,4-5H2,1-2H3;4-6H,3H2,1-2H3;4-6H,1-3H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-7H,1-2H3;4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10);4-5H,3H2,1-2H3;3-6H,1-2H3
InChIKeyBAURNBSYQRYOGA-UHFFFAOYSA-N
MW2936.97 g/mol
LogP28.56
Rot. Bonds16

About 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one

3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one (PubChem CID 157291073) has the molecular formula C152H190ClF2N49O10 and a molecular weight of 2936.97 g/mol. Its IUPAC name is 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
PubChem CID157291073
Molecular FormulaC152H190ClF2N49O10
Molecular Weight2936.97 g/mol
Exact Mass2934.55
IUPAC Name3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
SMILESCC(C)C1=CCC2=C1N=CCC2=O.CC(C)c1cn(C)c2c(N)ccnc12.CC(C)c1cn(C)c2cccnc12.CC(C)n1cc(Cl)c2c1N=CCC2=O.CC(C)n1cc(F)c2c(=O)n(C)cnc21.CC(C)n1cc(F)c2c1N=CCC2=O.CC(C)n1ccc2c1N=CCC2=O.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)ccnc21.CC(C)n1nnc2c1N=CCC2=O.CC(C)n1nnc2cccnc21.Cc1nc2c(c(=O)[nH]1)CC=C2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H15N3.C11H14N2O.C11H14N2.C11H13NO.C10H11ClN2O.C10H12FN3O.C10H11FN2O.C10H12N2O.C9H12N4O.C9H12N4.C9H11N3O.C9H11N3.C8H11N5O.C8H11N5.C8H10N4O.C8H10N4/c1-7(2)8-6-14(3)11-9(12)4-5-13-10(8)11;1-6(2)8-4-5-9-10(8)12-7(3)13-11(9)14;1-8(2)9-7-13(3)10-5-4-6-12-11(9)10;1-7(2)8-3-4-9-10(13)5-6-12-11(8)9;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-6(2)14-4-7(11)8-9(14)12-5-13(3)10(8)15;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-7(2)12-6-4-8-9(13)3-5-11-10(8)12;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-8-7(10-11-12)6(13)3-4-9-8;1-6(2)12-8-7(10-11-12)4-3-5-9-8/h4-7H,1-3H3,(H2,12,13);4,6H,5H2,1-3H3,(H,12,13,14);4-8H,1-3H3;3,6-7H,4-5H2,1-2H3;4-6H,3H2,1-2H3;4-6H,1-3H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-7H,1-2H3;4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10);4-5H,3H2,1-2H3;3-6H,1-2H3
InChIKeyBAURNBSYQRYOGA-UHFFFAOYSA-N
XLogP28.56
TPSA727.82 Ų
H-Bond Donors6
H-Bond Acceptors56
Rotatable Bonds16
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002936.97
LogP ≤ 528.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1056

Analyze 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one with MolForge

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Related Compounds

7-chloro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 91618204
[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[3-chloro-4-(trifluoromethyl)-2-pyridinyl]-[(4R)-4-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[4-chloro-5-(trifluoromethyl)-3-pyridinyl]-[(4R)-4-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90408817
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R,4R)-4-(2-aminoethyl)-3-methylpiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330064
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330077
[2-[5-[(3aS,7aR)-6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 155131871
[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-ethylimidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155131917
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[6-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 155132028
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[3-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155132059
(1R,3S,5R)-2-(2-(3-acetyl-7-methyl-5-(2-methylpyr-azolo[1,5-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-c]pyr-idin-1-yl)acetyl)-N-(3-chloro-6-(trifluoromethyl)-pyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 156837350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
The IUPAC name of 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one (CID 157291073) is 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one.
What is the SMILES notation for 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
The canonical SMILES for 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one is CC(C)C1=CCC2=C1N=CCC2=O.CC(C)c1cn(C)c2c(N)ccnc12.CC(C)c1cn(C)c2cccnc12.CC(C)n1cc(Cl)c2c1N=CCC2=O.CC(C)n1cc(F)c2c(=O)n(C)cnc21.CC(C)n1cc(F)c2c1N=CCC2=O.CC(C)n1ccc2c1N=CCC2=O.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)ccnc21.CC(C)n1nnc2c1N=CCC2=O.CC(C)n1nnc2cccnc21.Cc1nc2c(c(=O)[nH]1)CC=C2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
The InChIKey is BAURNBSYQRYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C11H14N2O.C11H14N2.C11H13NO.C10H11ClN2O.C10H12FN3O.C10H11FN2O.C10H12N2O.C9H12N4O.C9H12N4.C9H11N3O.C9H11N3.C8H11N5O.C8H11N5.C8H10N4O.C8H10N4/c1-7(2)8-6-14(3)11-9(12)4-5-13-10(8)11;1-6(2)8-4-5-9-10(8)12-7(3)13-11(9)14;1-8(2)9-7-13(3)10-5-4-6-12-11(9)10;1-7(2)8-3-4-9-10(13)5-6-12-11(8)9;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-6(2)14-4-7(11)8-9(14)12-5-13(3)10(8)15;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-7(2)12-6-4-8-9(13)3-5-11-10(8)12;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-8-7(10-11-12)6(13)3-4-9-8;1-6(2)12-8-7(10-11-12)4-3-5-9-8/h4-7H,1-3H3,(H2,12,13);4,6H,5H2,1-3H3,(H,12,13,14);4-8H,1-3H3;3,6-7H,4-5H2,1-2H3;4-6H,3H2,1-2H3;4-6H,1-3H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-7H,1-2H3;4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10);4-5H,3H2,1-2H3;3-6H,1-2H3.
What are the key properties of 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one has a molecular weight of 2936.97 g/mol, XLogP of 28.56, 16 rotatable bonds, 6 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one is sourced from PubChem (CID 157291073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).