[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

C109H103Cl5F5N27O7 — CID 164953269

IUPAC[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESCOc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1.Cc1ccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)ncc32)cc1.Cc1nc2c(cc1C(=O)N1CCC(F)CC1)c(Cl)cn2-c1cnccn1.Cc1nc2c(ccn2-c2cnccn2)cc1C(=O)N1CCC(F)CC1.O=C(c1cnc2c(c(Cl)cn2-c2cnccn2)c1Cl)N1CCC(F)CC1.O=C(c1cnc2c(ccn2-c2cnccn2)c1Cl)N1CCC(F)CC1
InChIInChI=1S/C20H20FN3O.C19H19ClN4O2.C18H17ClFN5O.C18H18FN5O.C17H14Cl2FN5O.C17H15ClFN5O/c1-14-2-4-17(5-3-14)24-11-6-15-12-18(22-13-19(15)24)20(25)23-9-7-16(21)8-10-23;1-26-15-8-14(10-21-11-15)24-12-17(20)16-7-13(9-22-18(16)24)19(25)23-5-3-2-4-6-23;1-11-13(18(26)24-6-2-12(20)3-7-24)8-14-15(19)10-25(17(14)23-11)16-9-21-4-5-22-16;1-12-15(18(25)23-7-3-14(19)4-8-23)10-13-2-9-24(17(13)22-12)16-11-20-5-6-21-16;18-12-9-25(13-8-21-3-4-22-13)16-14(12)15(19)11(7-23-16)17(26)24-5-1-10(20)2-6-24;18-15-12-3-8-24(14-10-20-4-5-21-14)16(12)22-9-13(15)17(25)23-6-1-11(19)2-7-23/h2-6,11-13,16H,7-10H2,1H3;7-12H,2-6H2,1H3;4-5,8-10,12H,2-3,6-7H2,1H3;2,5-6,9-11,14H,3-4,7-8H2,1H3;3-4,7-10H,1-2,5-6H2;3-5,8-11H,1-2,6-7H2
InChIKeyAUZPQXBKGUTESA-UHFFFAOYSA-N
MW2175.46 g/mol
LogP20.41
Rot. Bonds13

About [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 164953269) has the molecular formula C109H103Cl5F5N27O7 and a molecular weight of 2175.46 g/mol. Its IUPAC name is [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
PubChem CID164953269
Molecular FormulaC109H103Cl5F5N27O7
Molecular Weight2175.46 g/mol
Exact Mass2171.69
IUPAC Name[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESCOc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1.Cc1ccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)ncc32)cc1.Cc1nc2c(cc1C(=O)N1CCC(F)CC1)c(Cl)cn2-c1cnccn1.Cc1nc2c(ccn2-c2cnccn2)cc1C(=O)N1CCC(F)CC1.O=C(c1cnc2c(c(Cl)cn2-c2cnccn2)c1Cl)N1CCC(F)CC1.O=C(c1cnc2c(ccn2-c2cnccn2)c1Cl)N1CCC(F)CC1
InChIInChI=1S/C20H20FN3O.C19H19ClN4O2.C18H17ClFN5O.C18H18FN5O.C17H14Cl2FN5O.C17H15ClFN5O/c1-14-2-4-17(5-3-14)24-11-6-15-12-18(22-13-19(15)24)20(25)23-9-7-16(21)8-10-23;1-26-15-8-14(10-21-11-15)24-12-17(20)16-7-13(9-22-18(16)24)19(25)23-5-3-2-4-6-23;1-11-13(18(26)24-6-2-12(20)3-7-24)8-14-15(19)10-25(17(14)23-11)16-9-21-4-5-22-16;1-12-15(18(25)23-7-3-14(19)4-8-23)10-13-2-9-24(17(13)22-12)16-11-20-5-6-21-16;18-12-9-25(13-8-21-3-4-22-13)16-14(12)15(19)11(7-23-16)17(26)24-5-1-10(20)2-6-24;18-15-12-3-8-24(14-10-20-4-5-21-14)16(12)22-9-13(15)17(25)23-6-1-11(19)2-7-23/h2-6,11-13,16H,7-10H2,1H3;7-12H,2-6H2,1H3;4-5,8-10,12H,2-3,6-7H2,1H3;2,5-6,9-11,14H,3-4,7-8H2,1H3;3-4,7-10H,1-2,5-6H2;3-5,8-11H,1-2,6-7H2
InChIKeyAUZPQXBKGUTESA-UHFFFAOYSA-N
XLogP20.41
TPSA354.02 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002175.46
LogP ≤ 520.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone with MolForge

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Related Compounds

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CID 158600723
4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-2-phenylmorpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-(4-chlorophenyl)-6-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridine-2-carboxylate
CID 159948227
4-Chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
CID 160728206
4-chloro-N-(4-chlorophenyl)-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-3-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 160927558
4-chloro-N-(4-chlorophenyl)-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-3-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 160951134
(5Z)-2-amino-4-chloro-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(5-methyl-1H-imidazol-4-yl)methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(2,2,2-trifluoroacetyl)-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;methyl 5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrole-2-carboxylate
CID 161531341
[3-Chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 167547748
CID 167651186
CID 167651186
1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 157323399
bis(2-chloro-4-[2-methoxy-3-(3-tritylimidazol-4-yl)anilino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one);2,4-dichloro-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-fluoro-4-methylpyridin-2-amine;2-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-4-[2-methoxy-3-(3-tritylimidazol-4-yl)anilino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methoxy-3-(3-tritylimidazol-4-yl)aniline
CID 158611316
3-(4-chloroanilino)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide);5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-morpholin-4-ylpyridine-2-carboxamide
CID 158881459
4-Chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
CID 159330620

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The IUPAC name of [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 164953269) is [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The canonical SMILES for [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is COc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1.Cc1ccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)ncc32)cc1.Cc1nc2c(cc1C(=O)N1CCC(F)CC1)c(Cl)cn2-c1cnccn1.Cc1nc2c(ccn2-c2cnccn2)cc1C(=O)N1CCC(F)CC1.O=C(c1cnc2c(c(Cl)cn2-c2cnccn2)c1Cl)N1CCC(F)CC1.O=C(c1cnc2c(ccn2-c2cnccn2)c1Cl)N1CCC(F)CC1.
What is the InChIKey of [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The InChIKey is AUZPQXBKGUTESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O.C19H19ClN4O2.C18H17ClFN5O.C18H18FN5O.C17H14Cl2FN5O.C17H15ClFN5O/c1-14-2-4-17(5-3-14)24-11-6-15-12-18(22-13-19(15)24)20(25)23-9-7-16(21)8-10-23;1-26-15-8-14(10-21-11-15)24-12-17(20)16-7-13(9-22-18(16)24)19(25)23-5-3-2-4-6-23;1-11-13(18(26)24-6-2-12(20)3-7-24)8-14-15(19)10-25(17(14)23-11)16-9-21-4-5-22-16;1-12-15(18(25)23-7-3-14(19)4-8-23)10-13-2-9-24(17(13)22-12)16-11-20-5-6-21-16;18-12-9-25(13-8-21-3-4-22-13)16-14(12)15(19)11(7-23-16)17(26)24-5-1-10(20)2-6-24;18-15-12-3-8-24(14-10-20-4-5-21-14)16(12)22-9-13(15)17(25)23-6-1-11(19)2-7-23/h2-6,11-13,16H,7-10H2,1H3;7-12H,2-6H2,1H3;4-5,8-10,12H,2-3,6-7H2,1H3;2,5-6,9-11,14H,3-4,7-8H2,1H3;3-4,7-10H,1-2,5-6H2;3-5,8-11H,1-2,6-7H2.
What are the key properties of [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 2175.46 g/mol, XLogP of 20.41, 13 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone;(4-fluoropiperidin-1-yl)-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-5-yl]methanone;(4-fluoropiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 164953269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).