5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one

C134H139Cl5N36O10 — CID 158965996

IUPAC5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one
SMILESCOC(c1ccc(-c2cnc(NC(C)C)n(C)c2=O)nc1C)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(=O)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(=O)c1c[nH]c2ncccc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(C)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(O)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1Cc1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C23H25ClN6O2.C23H25ClN6O.C22H23ClN6O2.C22H21ClN6O2.C22H23ClN6O.C22H22N6O2/c1-12(2)28-23-27-11-18(22(31)30(23)4)19-7-6-15(13(3)29-19)20(32-5)17-10-26-21-16(17)8-14(24)9-25-21;1-12(2)28-23-27-11-19(22(31)30(23)5)20-7-6-16(14(4)29-20)13(3)18-10-26-21-17(18)8-15(24)9-25-21;2*1-11(2)27-22-26-10-17(21(31)29(22)4)18-6-5-14(12(3)28-18)19(30)16-9-25-20-15(16)7-13(23)8-24-20;1-12(2)27-22-26-11-18(21(30)29(22)4)19-6-5-14(13(3)28-19)7-15-9-24-20-17(15)8-16(23)10-25-20;1-12(2)26-22-25-11-17(21(30)28(22)4)18-8-7-14(13(3)27-18)19(29)16-10-24-20-15(16)6-5-9-23-20/h6-12,20H,1-5H3,(H,25,26)(H,27,28);6-13H,1-5H3,(H,25,26)(H,27,28);5-11,19,30H,1-4H3,(H,24,25)(H,26,27);5-11H,1-4H3,(H,24,25)(H,26,27);5-6,8-12H,7H2,1-4H3,(H,24,25)(H,26,27);5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyJNFBIIVDNOGRJX-UHFFFAOYSA-N
MW2591.09 g/mol
LogP23.37
Rot. Bonds31

About 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one

5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one (PubChem CID 158965996) has the molecular formula C134H139Cl5N36O10 and a molecular weight of 2591.09 g/mol. Its IUPAC name is 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one.

Molecular Properties

Compound Name5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one
PubChem CID158965996
Molecular FormulaC134H139Cl5N36O10
Molecular Weight2591.09 g/mol
Exact Mass2586.99
IUPAC Name5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one
SMILESCOC(c1ccc(-c2cnc(NC(C)C)n(C)c2=O)nc1C)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(=O)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(=O)c1c[nH]c2ncccc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(C)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(O)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1Cc1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C23H25ClN6O2.C23H25ClN6O.C22H23ClN6O2.C22H21ClN6O2.C22H23ClN6O.C22H22N6O2/c1-12(2)28-23-27-11-18(22(31)30(23)4)19-7-6-15(13(3)29-19)20(32-5)17-10-26-21-16(17)8-14(24)9-25-21;1-12(2)28-23-27-11-19(22(31)30(23)5)20-7-6-16(14(4)29-20)13(3)18-10-26-21-17(18)8-15(24)9-25-21;2*1-11(2)27-22-26-10-17(21(31)29(22)4)18-6-5-14(12(3)28-18)19(30)16-9-25-20-15(16)7-13(23)8-24-20;1-12(2)27-22-26-11-18(21(30)29(22)4)19-6-5-14(13(3)28-19)7-15-9-24-20-17(15)8-16(23)10-25-20;1-12(2)26-22-25-11-17(21(30)28(22)4)18-8-7-14(13(3)27-18)19(29)16-10-24-20-15(16)6-5-9-23-20/h6-12,20H,1-5H3,(H,25,26)(H,27,28);6-13H,1-5H3,(H,25,26)(H,27,28);5-11,19,30H,1-4H3,(H,24,25)(H,26,27);5-11H,1-4H3,(H,24,25)(H,26,27);5-6,8-12H,7H2,1-4H3,(H,24,25)(H,26,27);5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyJNFBIIVDNOGRJX-UHFFFAOYSA-N
XLogP23.37
TPSA594.54 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds31
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002591.09
LogP ≤ 523.37
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Analyze 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one with MolForge

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Related Compounds

3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-(trifluoromethyl)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoate;4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid;molecular hydrogen;1H-pyrrolo[2,3-b]pyridine
CID 157469514
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
CID 158927257
3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid;[2-chloro-6-(trifluoromethyl)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoate;1H-pyrrolo[2,3-b]pyridine
CID 160019276
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone
CID 160379471
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
CID 160766513
4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]pyridine-3-carboxylic acid;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone;4,6-dichloro-5-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]pyridine-3-carboxylic acid;methyl 4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]pyridine-3-carboxylate
CID 160924415
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone;[4-(trifluoromethyl)phenyl]methanamine
CID 161257254
7-[[6-[[(3R)-3-hydroxy-4-[4-[7-[[6-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridin-7-ium-7-yl]pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156652042
6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one
CID 157068500
1-benzyl-2-bromopyridin-1-ium;4-chloro-6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidine;ethyl 2-amino-5-(1-benzylpyridin-1-ium-2-yl)-1H-pyrrole-3-carboxylate;ethyl 2-amino-1H-pyrrole-3-carboxylate;6-pyridin-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;dibromide
CID 157084472
[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanol;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
CID 157205068
(3R)-1-benzylpiperidin-3-amine;tert-butyl 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;tert-butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;tert-butyl 4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;tert-butyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;2-cyanoacetic acid;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;methane
CID 157221106

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one?
The IUPAC name of 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one (CID 158965996) is 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one.
What is the SMILES notation for 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one?
The canonical SMILES for 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one is COC(c1ccc(-c2cnc(NC(C)C)n(C)c2=O)nc1C)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(=O)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(=O)c1c[nH]c2ncccc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(C)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1C(O)c1c[nH]c2ncc(Cl)cc12.Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1Cc1c[nH]c2ncc(Cl)cc12.
What is the InChIKey of 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one?
The InChIKey is JNFBIIVDNOGRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2.C23H25ClN6O.C22H23ClN6O2.C22H21ClN6O2.C22H23ClN6O.C22H22N6O2/c1-12(2)28-23-27-11-18(22(31)30(23)4)19-7-6-15(13(3)29-19)20(32-5)17-10-26-21-16(17)8-14(24)9-25-21;1-12(2)28-23-27-11-19(22(31)30(23)5)20-7-6-16(14(4)29-20)13(3)18-10-26-21-17(18)8-15(24)9-25-21;2*1-11(2)27-22-26-10-17(21(31)29(22)4)18-6-5-14(12(3)28-18)19(30)16-9-25-20-15(16)7-13(23)8-24-20;1-12(2)27-22-26-11-18(21(30)29(22)4)19-6-5-14(13(3)28-19)7-15-9-24-20-17(15)8-16(23)10-25-20;1-12(2)26-22-25-11-17(21(30)28(22)4)18-8-7-14(13(3)27-18)19(29)16-10-24-20-15(16)6-5-9-23-20/h6-12,20H,1-5H3,(H,25,26)(H,27,28);6-13H,1-5H3,(H,25,26)(H,27,28);5-11,19,30H,1-4H3,(H,24,25)(H,26,27);5-11H,1-4H3,(H,24,25)(H,26,27);5-6,8-12H,7H2,1-4H3,(H,24,25)(H,26,27);5-12H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one?
5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one has a molecular weight of 2591.09 g/mol, XLogP of 23.37, 31 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;5-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one;3-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one is sourced from PubChem (CID 158965996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).