[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine

C147H166ClF2N35OS3+8 — CID 160696992

IUPAC[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine
SMILESC[n+]1ccc2c(cnn2Cc2cc(/C(N)=N/C3CC3)cs2)c1.C[n+]1ccc2c(cnn2Cc2ccc(/C(N)=N/C3CC3)cc2)c1.[H]/N=C(/c1cc(F)c(Cn2ccc3c[n+](C)ccc32)c(Cl)c1)N1CCCC1.[H]/N=C(/c1ccc(Cn2ccc3c[n+](C)ccc32)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(Cn2ccc3c[n+](C)ccc32)cc1)N1CCCC1.[H]/N=C(/c1coc(Cn2ccc3c[n+](C)ccc32)c1)N1CCCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)c1)N1CCCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)n1)N1CCCC1
InChIInChI=1S/C20H21ClFN4.C20H22FN4.C20H23N4.C18H20N5.C18H21N4O.C18H21N4S.C17H20N5S.C16H18N5S/c1-24-8-5-19-14(12-24)4-9-26(19)13-16-17(21)10-15(11-18(16)22)20(23)25-6-2-3-7-25;1-23-10-7-19-17(13-23)6-11-25(19)14-16-5-4-15(12-18(16)21)20(22)24-8-2-3-9-24;1-22-12-9-19-18(15-22)8-13-24(19)14-16-4-6-17(7-5-16)20(21)23-10-2-3-11-23;1-22-9-8-17-15(12-22)10-20-23(17)11-13-2-4-14(5-3-13)18(19)21-16-6-7-16;2*1-20-8-5-17-14(11-20)4-9-22(17)12-16-10-15(13-23-16)18(19)21-6-2-3-7-21;1-20-8-5-15-13(10-20)4-9-22(15)11-16-19-14(12-23-16)17(18)21-6-2-3-7-21;1-20-5-4-15-12(8-20)7-18-21(15)9-14-6-11(10-22-14)16(17)19-13-2-3-13/h4-5,8-12,23H,2-3,6-7,13H2,1H3;4-7,10-13,22H,2-3,8-9,14H2,1H3;4-9,12-13,15,21H,2-3,10-11,14H2,1H3;2-5,8-10,12,16H,6-7,11H2,1H3,(H2,19,21);2*4-5,8-11,13,19H,2-3,6-7,12H2,1H3;4-5,8-10,12,18H,2-3,6-7,11H2,1H3;4-8,10,13H,2-3,9H2,1H3,(H2,17,19)/q8*+1/b23-20-;22-20-;21-20-;;2*19-18-;18-17-;
InChIKeyRYHGPBLWNACPDH-HYPZZIDESA-N
MW2608.84 g/mol
LogP21.27
Rot. Bonds26

About [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine

[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine (PubChem CID 160696992) has the molecular formula C147H166ClF2N35OS3+8 and a molecular weight of 2608.84 g/mol. Its IUPAC name is [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine
PubChem CID160696992
Molecular FormulaC147H166ClF2N35OS3+8
Molecular Weight2608.84 g/mol
Exact Mass2606.28
IUPAC Name[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine
SMILESC[n+]1ccc2c(cnn2Cc2cc(/C(N)=N/C3CC3)cs2)c1.C[n+]1ccc2c(cnn2Cc2ccc(/C(N)=N/C3CC3)cc2)c1.[H]/N=C(/c1cc(F)c(Cn2ccc3c[n+](C)ccc32)c(Cl)c1)N1CCCC1.[H]/N=C(/c1ccc(Cn2ccc3c[n+](C)ccc32)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(Cn2ccc3c[n+](C)ccc32)cc1)N1CCCC1.[H]/N=C(/c1coc(Cn2ccc3c[n+](C)ccc32)c1)N1CCCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)c1)N1CCCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)n1)N1CCCC1
InChIInChI=1S/C20H21ClFN4.C20H22FN4.C20H23N4.C18H20N5.C18H21N4O.C18H21N4S.C17H20N5S.C16H18N5S/c1-24-8-5-19-14(12-24)4-9-26(19)13-16-17(21)10-15(11-18(16)22)20(23)25-6-2-3-7-25;1-23-10-7-19-17(13-23)6-11-25(19)14-16-5-4-15(12-18(16)21)20(22)24-8-2-3-9-24;1-22-12-9-19-18(15-22)8-13-24(19)14-16-4-6-17(7-5-16)20(21)23-10-2-3-11-23;1-22-9-8-17-15(12-22)10-20-23(17)11-13-2-4-14(5-3-13)18(19)21-16-6-7-16;2*1-20-8-5-17-14(11-20)4-9-22(17)12-16-10-15(13-23-16)18(19)21-6-2-3-7-21;1-20-8-5-15-13(10-20)4-9-22(15)11-16-19-14(12-23-16)17(18)21-6-2-3-7-21;1-20-5-4-15-12(8-20)7-18-21(15)9-14-6-11(10-22-14)16(17)19-13-2-3-13/h4-5,8-12,23H,2-3,6-7,13H2,1H3;4-7,10-13,22H,2-3,8-9,14H2,1H3;4-9,12-13,15,21H,2-3,10-11,14H2,1H3;2-5,8-10,12,16H,6-7,11H2,1H3,(H2,19,21);2*4-5,8-11,13,19H,2-3,6-7,12H2,1H3;4-5,8-10,12,18H,2-3,6-7,11H2,1H3;4-8,10,13H,2-3,9H2,1H3,(H2,17,19)/q8*+1/b23-20-;22-20-;21-20-;;2*19-18-;18-17-;
InChIKeyRYHGPBLWNACPDH-HYPZZIDESA-N
XLogP21.27
TPSA361.59 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002608.84
LogP ≤ 521.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine?
The IUPAC name of [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine (CID 160696992) is [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine?
The canonical SMILES for [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine is C[n+]1ccc2c(cnn2Cc2cc(/C(N)=N/C3CC3)cs2)c1.C[n+]1ccc2c(cnn2Cc2ccc(/C(N)=N/C3CC3)cc2)c1.[H]/N=C(/c1cc(F)c(Cn2ccc3c[n+](C)ccc32)c(Cl)c1)N1CCCC1.[H]/N=C(/c1ccc(Cn2ccc3c[n+](C)ccc32)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(Cn2ccc3c[n+](C)ccc32)cc1)N1CCCC1.[H]/N=C(/c1coc(Cn2ccc3c[n+](C)ccc32)c1)N1CCCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)c1)N1CCCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)n1)N1CCCC1.
What is the InChIKey of [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine?
The InChIKey is RYHGPBLWNACPDH-HYPZZIDESA-N. The full InChI is InChI=1S/C20H21ClFN4.C20H22FN4.C20H23N4.C18H20N5.C18H21N4O.C18H21N4S.C17H20N5S.C16H18N5S/c1-24-8-5-19-14(12-24)4-9-26(19)13-16-17(21)10-15(11-18(16)22)20(23)25-6-2-3-7-25;1-23-10-7-19-17(13-23)6-11-25(19)14-16-5-4-15(12-18(16)21)20(22)24-8-2-3-9-24;1-22-12-9-19-18(15-22)8-13-24(19)14-16-4-6-17(7-5-16)20(21)23-10-2-3-11-23;1-22-9-8-17-15(12-22)10-20-23(17)11-13-2-4-14(5-3-13)18(19)21-16-6-7-16;2*1-20-8-5-17-14(11-20)4-9-22(17)12-16-10-15(13-23-16)18(19)21-6-2-3-7-21;1-20-8-5-15-13(10-20)4-9-22(15)11-16-19-14(12-23-16)17(18)21-6-2-3-7-21;1-20-5-4-15-12(8-20)7-18-21(15)9-14-6-11(10-22-14)16(17)19-13-2-3-13/h4-5,8-12,23H,2-3,6-7,13H2,1H3;4-7,10-13,22H,2-3,8-9,14H2,1H3;4-9,12-13,15,21H,2-3,10-11,14H2,1H3;2-5,8-10,12,16H,6-7,11H2,1H3,(H2,19,21);2*4-5,8-11,13,19H,2-3,6-7,12H2,1H3;4-5,8-10,12,18H,2-3,6-7,11H2,1H3;4-8,10,13H,2-3,9H2,1H3,(H2,17,19)/q8*+1/b23-20-;22-20-;21-20-;;2*19-18-;18-17-;.
What are the key properties of [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine?
[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine has a molecular weight of 2608.84 g/mol, XLogP of 21.27, 26 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;N'-cyclopropyl-4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide;[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 160696992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).