4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide

C149H213Cl6N21O35S3 — CID 161240909

IUPAC4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide
SMILESCC[C@H]1OC(=O)/C(C)=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](OC)[C@@H]2N(C)C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(SCCn3cnc4c(N)ncc(C(=O)Nc5c(Cl)cncc5Cl)c43)C(=O)O[C@@]21C.CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](OC)[C@@H]2N(C)C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(SCCn3cnc4c(N)ncc(C(=O)Nc5c(Cl)cncc5Cl)c43)C(=O)O[C@@]21C.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](OC)[C@@H]2N(C)C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(SCCn3cnc4c(N)ncc(C(=O)Nc5c(Cl)cncc5Cl)c43)C(=O)O[C@@]21C
InChIInChI=1S/C55H81Cl2N7O14S.C47H67Cl2N7O11S.C47H65Cl2N7O10S/c1-16-36-55(10)38(45(51(69)78-55)79-18-17-64-25-61-40-41(64)32(22-60-48(40)58)49(67)62-39-33(56)23-59-24-34(39)57)28(4)43(65)26(2)20-54(9,72-15)47(77-52-42(63(11)12)35(70-13)19-27(3)73-52)29(5)44(30(6)50(68)75-36)76-37-21-53(8,71-14)46(66)31(7)74-37;1-13-31-47(8)32(39(44(61)67-47)68-15-14-56-21-53-34-35(56)27(18-52-41(34)50)42(59)54-33-28(48)19-51-20-29(33)49)24(4)37(57)22(2)17-46(7,63-12)40(25(5)38(58)26(6)43(60)65-31)66-45-36(55(9)10)30(62-11)16-23(3)64-45;1-13-32-47(8)33(39(44(60)66-47)67-15-14-56-22-53-35-36(56)28(19-52-41(35)50)42(58)54-34-29(48)20-51-21-30(34)49)27(6)38(57)25(4)18-46(7,62-12)40(23(2)16-24(3)43(59)64-32)65-45-37(55(9)10)31(61-11)17-26(5)63-45/h22-31,35-38,42,44-47,52,66H,16-21H2,1-15H3,(H2,58,60)(H,59,62,67);18-26,30-32,36,38-40,45,58H,13-17H2,1-12H3,(H2,50,52)(H,51,54,59);16,19-23,25-27,31-33,37,39-40,45H,13-15,17-18H2,1-12H3,(H2,50,52)(H,51,54,58)/b;;24-16-/t26-,27-,28-,29+,30-,31+,35-,36-,37+,38+,42+,44+,45?,46+,47-,52+,53-,54-,55-;22-,23-,24-,25+,26-,30-,31-,32+,36+,38+,39?,40-,45+,46-,47-;23-,25+,26+,27+,31+,32+,33-,37-,39?,40+,45-,46+,47+/m110/s1
InChIKeyUZZHNIFWHVVTAK-OEVIHQQMSA-N
MW3167.37 g/mol
LogP20.09
Rot. Bonds39

About 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide

4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 161240909) has the molecular formula C149H213Cl6N21O35S3 and a molecular weight of 3167.37 g/mol. Its IUPAC name is 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID161240909
Molecular FormulaC149H213Cl6N21O35S3
Molecular Weight3167.37 g/mol
Exact Mass3162.28
IUPAC Name4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide
SMILESCC[C@H]1OC(=O)/C(C)=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](OC)[C@@H]2N(C)C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(SCCn3cnc4c(N)ncc(C(=O)Nc5c(Cl)cncc5Cl)c43)C(=O)O[C@@]21C.CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](OC)[C@@H]2N(C)C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(SCCn3cnc4c(N)ncc(C(=O)Nc5c(Cl)cncc5Cl)c43)C(=O)O[C@@]21C.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](OC)[C@@H]2N(C)C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(SCCn3cnc4c(N)ncc(C(=O)Nc5c(Cl)cncc5Cl)c43)C(=O)O[C@@]21C
InChIInChI=1S/C55H81Cl2N7O14S.C47H67Cl2N7O11S.C47H65Cl2N7O10S/c1-16-36-55(10)38(45(51(69)78-55)79-18-17-64-25-61-40-41(64)32(22-60-48(40)58)49(67)62-39-33(56)23-59-24-34(39)57)28(4)43(65)26(2)20-54(9,72-15)47(77-52-42(63(11)12)35(70-13)19-27(3)73-52)29(5)44(30(6)50(68)75-36)76-37-21-53(8,71-14)46(66)31(7)74-37;1-13-31-47(8)32(39(44(61)67-47)68-15-14-56-21-53-34-35(56)27(18-52-41(34)50)42(59)54-33-28(48)19-51-20-29(33)49)24(4)37(57)22(2)17-46(7,63-12)40(25(5)38(58)26(6)43(60)65-31)66-45-36(55(9)10)30(62-11)16-23(3)64-45;1-13-32-47(8)33(39(44(60)66-47)67-15-14-56-22-53-35-36(56)28(19-52-41(35)50)42(58)54-34-29(48)20-51-21-30(34)49)27(6)38(57)25(4)18-46(7,62-12)40(23(2)16-24(3)43(59)64-32)65-45-37(55(9)10)31(61-11)17-26(5)63-45/h22-31,35-38,42,44-47,52,66H,16-21H2,1-15H3,(H2,58,60)(H,59,62,67);18-26,30-32,36,38-40,45,58H,13-17H2,1-12H3,(H2,50,52)(H,51,54,59);16,19-23,25-27,31-33,37,39-40,45H,13-15,17-18H2,1-12H3,(H2,50,52)(H,51,54,58)/b;;24-16-/t26-,27-,28-,29+,30-,31+,35-,36-,37+,38+,42+,44+,45?,46+,47-,52+,53-,54-,55-;22-,23-,24-,25+,26-,30-,31-,32+,36+,38+,39?,40-,45+,46-,47-;23-,25+,26+,27+,31+,32+,33-,37-,39?,40+,45-,46+,47+/m110/s1
InChIKeyUZZHNIFWHVVTAK-OEVIHQQMSA-N
XLogP20.09
TPSA693.80 Ų
H-Bond Donors8
H-Bond Acceptors56
Rotatable Bonds39
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003167.37
LogP ≤ 520.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1056

Analyze 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide (CID 161240909) is 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide is CC[C@H]1OC(=O)/C(C)=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](OC)[C@@H]2N(C)C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(SCCn3cnc4c(N)ncc(C(=O)Nc5c(Cl)cncc5Cl)c43)C(=O)O[C@@]21C.CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](OC)[C@@H]2N(C)C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(SCCn3cnc4c(N)ncc(C(=O)Nc5c(Cl)cncc5Cl)c43)C(=O)O[C@@]21C.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](OC)[C@@H]2N(C)C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(SCCn3cnc4c(N)ncc(C(=O)Nc5c(Cl)cncc5Cl)c43)C(=O)O[C@@]21C.
What is the InChIKey of 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is UZZHNIFWHVVTAK-OEVIHQQMSA-N. The full InChI is InChI=1S/C55H81Cl2N7O14S.C47H67Cl2N7O11S.C47H65Cl2N7O10S/c1-16-36-55(10)38(45(51(69)78-55)79-18-17-64-25-61-40-41(64)32(22-60-48(40)58)49(67)62-39-33(56)23-59-24-34(39)57)28(4)43(65)26(2)20-54(9,72-15)47(77-52-42(63(11)12)35(70-13)19-27(3)73-52)29(5)44(30(6)50(68)75-36)76-37-21-53(8,71-14)46(66)31(7)74-37;1-13-31-47(8)32(39(44(61)67-47)68-15-14-56-21-53-34-35(56)27(18-52-41(34)50)42(59)54-33-28(48)19-51-20-29(33)49)24(4)37(57)22(2)17-46(7,63-12)40(25(5)38(58)26(6)43(60)65-31)66-45-36(55(9)10)30(62-11)16-23(3)64-45;1-13-32-47(8)33(39(44(60)66-47)67-15-14-56-22-53-35-36(56)28(19-52-41(35)50)42(58)54-34-29(48)20-51-21-30(34)49)27(6)38(57)25(4)18-46(7,62-12)40(23(2)16-24(3)43(59)64-32)65-45-37(55(9)10)31(61-11)17-26(5)63-45/h22-31,35-38,42,44-47,52,66H,16-21H2,1-15H3,(H2,58,60)(H,59,62,67);18-26,30-32,36,38-40,45,58H,13-17H2,1-12H3,(H2,50,52)(H,51,54,59);16,19-23,25-27,31-33,37,39-40,45H,13-15,17-18H2,1-12H3,(H2,50,52)(H,51,54,58)/b;;24-16-/t26-,27-,28-,29+,30-,31+,35-,36-,37+,38+,42+,44+,45?,46+,47-,52+,53-,54-,55-;22-,23-,24-,25+,26-,30-,31-,32+,36+,38+,39?,40-,45+,46-,47-;23-,25+,26+,27+,31+,32+,33-,37-,39?,40+,45-,46+,47+/m110/s1.
What are the key properties of 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide?
4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 3167.37 g/mol, XLogP of 20.09, 39 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide;4-amino-N-(3,5-dichloro-4-pyridinyl)-1-[2-[[(1S,2R,5Z,7S,8R,9R,11R,13R,14R)-8-[(2S,3S,4R,6R)-3-(dimethylamino)-4-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadec-5-en-15-yl]sulfanyl]ethyl]imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 161240909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).