3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide

C144H159ClF5N30O6S4+7 — CID 159365767

IUPAC3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide
SMILESC[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/c3ccccc3)cs2)c1.C[n+]1ccc2c(ccn2Cc2cc(C(N)=Nc3nccs3)cs2)c1.C[n+]1cccc2c1ccn2Cc1c(F)cc(C(N)=NOC2CCCCC2)cc1Cl.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCCCC2)cc1F.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCNCC2)cc1F.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCOCC2)cc1F.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCSCC2)cc1F
InChIInChI=1S/C22H25ClFN4O.C22H26FN4O.C21H25FN5O.C21H24FN4O2.C21H24FN4OS.C20H19N4S.C17H16N5S2/c1-27-10-5-8-21-20(27)9-11-28(21)14-17-18(23)12-15(13-19(17)24)22(25)26-29-16-6-3-2-4-7-16;1-26-12-5-8-21-20(26)11-13-27(21)15-17-10-9-16(14-19(17)23)22(24)25-28-18-6-3-2-4-7-18;1-26-11-2-3-20-19(26)8-12-27(20)14-16-5-4-15(13-18(16)22)21(23)25-28-17-6-9-24-10-7-17;1-25-9-2-3-20-19(25)6-10-26(20)14-16-5-4-15(13-18(16)22)21(23)24-28-17-7-11-27-12-8-17;1-25-9-2-3-20-19(25)6-10-26(20)14-16-5-4-15(13-18(16)22)21(23)24-27-17-7-11-28-12-8-17;1-23-9-8-19-15(12-23)7-10-24(19)13-18-11-16(14-25-18)20(21)22-17-5-3-2-4-6-17;1-21-5-3-15-12(9-21)2-6-22(15)10-14-8-13(11-24-14)16(18)20-17-19-4-7-23-17/h5,8-13,16H,2-4,6-7,14H2,1H3,(H2,25,26);5,8-14,18H,2-4,6-7,15H2,1H3,(H2,24,25);2-5,8,11-13,17,24H,6-7,9-10,14H2,1H3,(H2,23,25);2*2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H2,23,24);2-12,14H,13H2,1H3,(H2,21,22);2-9,11H,10H2,1H3,(H2,18,19,20)/q7*+1
InChIKeyOMDFTOUCJFHDNL-UHFFFAOYSA-N
MW2664.77 g/mol
LogP22.28
Rot. Bonds33

About 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide

3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide (PubChem CID 159365767) has the molecular formula C144H159ClF5N30O6S4+7 and a molecular weight of 2664.77 g/mol. Its IUPAC name is 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide
PubChem CID159365767
Molecular FormulaC144H159ClF5N30O6S4+7
Molecular Weight2664.77 g/mol
Exact Mass2662.15
IUPAC Name3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide
SMILESC[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/c3ccccc3)cs2)c1.C[n+]1ccc2c(ccn2Cc2cc(C(N)=Nc3nccs3)cs2)c1.C[n+]1cccc2c1ccn2Cc1c(F)cc(C(N)=NOC2CCCCC2)cc1Cl.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCCCC2)cc1F.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCNCC2)cc1F.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCOCC2)cc1F.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCSCC2)cc1F
InChIInChI=1S/C22H25ClFN4O.C22H26FN4O.C21H25FN5O.C21H24FN4O2.C21H24FN4OS.C20H19N4S.C17H16N5S2/c1-27-10-5-8-21-20(27)9-11-28(21)14-17-18(23)12-15(13-19(17)24)22(25)26-29-16-6-3-2-4-7-16;1-26-12-5-8-21-20(26)11-13-27(21)15-17-10-9-16(14-19(17)23)22(24)25-28-18-6-3-2-4-7-18;1-26-11-2-3-20-19(26)8-12-27(20)14-16-5-4-15(13-18(16)22)21(23)25-28-17-6-9-24-10-7-17;1-25-9-2-3-20-19(25)6-10-26(20)14-16-5-4-15(13-18(16)22)21(23)24-28-17-7-11-27-12-8-17;1-25-9-2-3-20-19(25)6-10-26(20)14-16-5-4-15(13-18(16)22)21(23)24-27-17-7-11-28-12-8-17;1-23-9-8-19-15(12-23)7-10-24(19)13-18-11-16(14-25-18)20(21)22-17-5-3-2-4-6-17;1-21-5-3-15-12(9-21)2-6-22(15)10-14-8-13(11-24-14)16(18)20-17-19-4-7-23-17/h5,8-13,16H,2-4,6-7,14H2,1H3,(H2,25,26);5,8-14,18H,2-4,6-7,15H2,1H3,(H2,24,25);2-5,8,11-13,17,24H,6-7,9-10,14H2,1H3,(H2,23,25);2*2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H2,23,24);2-12,14H,13H2,1H3,(H2,21,22);2-9,11H,10H2,1H3,(H2,18,19,20)/q7*+1
InChIKeyOMDFTOUCJFHDNL-UHFFFAOYSA-N
XLogP22.28
TPSA410.63 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002664.77
LogP ≤ 522.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide?
The IUPAC name of 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide (CID 159365767) is 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide.
What is the SMILES notation for 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide?
The canonical SMILES for 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide is C[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/c3ccccc3)cs2)c1.C[n+]1ccc2c(ccn2Cc2cc(C(N)=Nc3nccs3)cs2)c1.C[n+]1cccc2c1ccn2Cc1c(F)cc(C(N)=NOC2CCCCC2)cc1Cl.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCCCC2)cc1F.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCNCC2)cc1F.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCOCC2)cc1F.C[n+]1cccc2c1ccn2Cc1ccc(C(N)=NOC2CCSCC2)cc1F.
What is the InChIKey of 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide?
The InChIKey is OMDFTOUCJFHDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN4O.C22H26FN4O.C21H25FN5O.C21H24FN4O2.C21H24FN4OS.C20H19N4S.C17H16N5S2/c1-27-10-5-8-21-20(27)9-11-28(21)14-17-18(23)12-15(13-19(17)24)22(25)26-29-16-6-3-2-4-7-16;1-26-12-5-8-21-20(26)11-13-27(21)15-17-10-9-16(14-19(17)23)22(24)25-28-18-6-3-2-4-7-18;1-26-11-2-3-20-19(26)8-12-27(20)14-16-5-4-15(13-18(16)22)21(23)25-28-17-6-9-24-10-7-17;1-25-9-2-3-20-19(25)6-10-26(20)14-16-5-4-15(13-18(16)22)21(23)24-28-17-7-11-27-12-8-17;1-25-9-2-3-20-19(25)6-10-26(20)14-16-5-4-15(13-18(16)22)21(23)24-27-17-7-11-28-12-8-17;1-23-9-8-19-15(12-23)7-10-24(19)13-18-11-16(14-25-18)20(21)22-17-5-3-2-4-6-17;1-21-5-3-15-12(9-21)2-6-22(15)10-14-8-13(11-24-14)16(18)20-17-19-4-7-23-17/h5,8-13,16H,2-4,6-7,14H2,1H3,(H2,25,26);5,8-14,18H,2-4,6-7,15H2,1H3,(H2,24,25);2-5,8,11-13,17,24H,6-7,9-10,14H2,1H3,(H2,23,25);2*2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H2,23,24);2-12,14H,13H2,1H3,(H2,21,22);2-9,11H,10H2,1H3,(H2,18,19,20)/q7*+1.
What are the key properties of 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide?
3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide has a molecular weight of 2664.77 g/mol, XLogP of 22.28, 33 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-cyclohexyloxy-5-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclohexyloxy-3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(oxan-4-yloxy)benzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;3-fluoro-4-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-N'-(thian-4-yloxy)benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-phenylthiophene-3-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-(1,3-thiazol-2-yl)thiophene-3-carboximidamide is sourced from PubChem (CID 159365767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).