2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide

C73H80FN23O18 — CID 161388958

IUPAC2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
SMILESCOc1cccc(C(=O)NC2[C@@H](CO)O[C@@H](n3cnc4c(N)ccnc43)[C@H]2O)c1.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(O)cc2)[C@@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)c2ccc(F)cc2)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)c2cccnc2)[C@@H]1O
InChIInChI=1S/C20H24N6O5.C19H21N5O5.C18H18FN5O4.C16H17N7O4/c21-12-5-6-23-18-15(12)24-9-26(18)20-17(29)16(14(8-27)31-20)25-19(30)13(22)7-10-1-3-11(28)4-2-10;1-28-11-4-2-3-10(7-11)18(27)23-15-13(8-25)29-19(16(15)26)24-9-22-14-12(20)5-6-21-17(14)24;19-10-3-1-9(2-4-10)17(27)23-14-12(7-25)28-18(15(14)26)24-8-22-13-11(20)5-6-21-16(13)24;17-13-11-14(20-6-19-13)23(7-21-11)16-12(25)10(9(5-24)27-16)22-15(26)8-2-1-3-18-4-8/h1-6,9,13-14,16-17,20,27-29H,7-8,22H2,(H2,21,23)(H,25,30);2-7,9,13,15-16,19,25-26H,8H2,1H3,(H2,20,21)(H,23,27);1-6,8,12,14-15,18,25-26H,7H2,(H2,20,21)(H,23,27);1-4,6-7,9-10,12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t13?,14-,16?,17+,20-;13-,15?,16+,19-;12-,14?,15+,18-;9-,10?,12+,16-/m1111/s1
InChIKeyVSSLZSASQBGBSR-MNGDTYEJSA-N
MW1586.58 g/mol
LogP-1.85
Rot. Bonds19

About 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide

2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 161388958) has the molecular formula C73H80FN23O18 and a molecular weight of 1586.58 g/mol. Its IUPAC name is 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
PubChem CID161388958
Molecular FormulaC73H80FN23O18
Molecular Weight1586.58 g/mol
Exact Mass1585.60
IUPAC Name2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
SMILESCOc1cccc(C(=O)NC2[C@@H](CO)O[C@@H](n3cnc4c(N)ccnc43)[C@H]2O)c1.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(O)cc2)[C@@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)c2ccc(F)cc2)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)c2cccnc2)[C@@H]1O
InChIInChI=1S/C20H24N6O5.C19H21N5O5.C18H18FN5O4.C16H17N7O4/c21-12-5-6-23-18-15(12)24-9-26(18)20-17(29)16(14(8-27)31-20)25-19(30)13(22)7-10-1-3-11(28)4-2-10;1-28-11-4-2-3-10(7-11)18(27)23-15-13(8-25)29-19(16(15)26)24-9-22-14-12(20)5-6-21-17(14)24;19-10-3-1-9(2-4-10)17(27)23-14-12(7-25)28-18(15(14)26)24-8-22-13-11(20)5-6-21-16(13)24;17-13-11-14(20-6-19-13)23(7-21-11)16-12(25)10(9(5-24)27-16)22-15(26)8-2-1-3-18-4-8/h1-6,9,13-14,16-17,20,27-29H,7-8,22H2,(H2,21,23)(H,25,30);2-7,9,13,15-16,19,25-26H,8H2,1H3,(H2,20,21)(H,23,27);1-6,8,12,14-15,18,25-26H,7H2,(H2,20,21)(H,23,27);1-4,6-7,9-10,12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t13?,14-,16?,17+,20-;13-,15?,16+,19-;12-,14?,15+,18-;9-,10?,12+,16-/m1111/s1
InChIKeyVSSLZSASQBGBSR-MNGDTYEJSA-N
XLogP-1.85
TPSA623.34 Ų
H-Bond Donors18
H-Bond Acceptors37
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001586.58
LogP ≤ 5-1.85
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1037

Analyze 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl] [hydroxy-[[(2R,3S,4R,5R)-3-hydroxy-4-[(3-methoxybenzoyl)amino]-5-[6-(naphthalen-1-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphate
CID 118719207
N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-phenoxyphenyl)methylamino]purin-9-yl]oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 44590527
N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-phenoxyphenyl)methylamino]purin-9-yl]oxolan-2-yl]methyl]-2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 44590531
N-[(3R)-1-[6-[2,2-bis(4-hydroxyphenyl)ethylamino]-9-[(2R,3R,4S,5R)-5-(2-ethyltetrazol-5-yl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]pyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 25030381
[(2R,3S,4R,5R)-5-[6-[2,2-bis(4-hydroxyphenyl)ethylamino]-2-[(3R)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]pyrrolidin-1-yl]purin-9-yl]-2-(2-ethyltetrazol-5-yl)-4-hydroxyoxolan-3-yl] 2,2,2-trifluoroacetate
CID 87636207
[(3S,4R,5R)-5-[6-[2,2-bis(4-hydroxyphenyl)ethylamino]-2-[(3R)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]pyrrolidin-1-yl]purin-9-yl]-5-(2-ethyltetrazol-5-yl)-4-hydroxyoxolan-3-yl] 2,2,2-trifluoroacetate
CID 87748062
N-[9-[(2R,3R,4S,5R)-5-[[[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluoro-5-(9-oxo-4H-imidazo[1,2-a]purin-3-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 142462094
[4-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]phenyl]methyl N-[[2-[[9-[(2R,3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-purin-9-yloxolan-2-yl]methylsulfamoyloxy]oxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamoyl]phenyl]methyl]-N-methylcarbamate
CID 155721351
2-[[2-cyclohexyl-4-[6-(phenylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid;2-[[4'-[6-(cyclopentylcarbamoylamino)purin-9-yl]spiro[2,4-dihydro-1H-naphthalene-3,2'-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole]-6'-yl]methoxy]pyridine-3-carboxylic acid;2-[[4-[6-(phenylcarbamoylamino)purin-9-yl]-2-[2-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid
CID 157839626
sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 158999786
3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 161026421
1-[1-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methyl]-6-methylpyrrolo[3,2-b]pyridin-3-yl]-4-hydroxybutan-1-one;1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide;1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methyl-N-(2-methylpropyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 161753660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide (CID 161388958) is 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide is COc1cccc(C(=O)NC2[C@@H](CO)O[C@@H](n3cnc4c(N)ccnc43)[C@H]2O)c1.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(O)cc2)[C@@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)c2ccc(F)cc2)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)c2cccnc2)[C@@H]1O.
What is the InChIKey of 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is VSSLZSASQBGBSR-MNGDTYEJSA-N. The full InChI is InChI=1S/C20H24N6O5.C19H21N5O5.C18H18FN5O4.C16H17N7O4/c21-12-5-6-23-18-15(12)24-9-26(18)20-17(29)16(14(8-27)31-20)25-19(30)13(22)7-10-1-3-11(28)4-2-10;1-28-11-4-2-3-10(7-11)18(27)23-15-13(8-25)29-19(16(15)26)24-9-22-14-12(20)5-6-21-17(14)24;19-10-3-1-9(2-4-10)17(27)23-14-12(7-25)28-18(15(14)26)24-8-22-13-11(20)5-6-21-16(13)24;17-13-11-14(20-6-19-13)23(7-21-11)16-12(25)10(9(5-24)27-16)22-15(26)8-2-1-3-18-4-8/h1-6,9,13-14,16-17,20,27-29H,7-8,22H2,(H2,21,23)(H,25,30);2-7,9,13,15-16,19,25-26H,8H2,1H3,(H2,20,21)(H,23,27);1-6,8,12,14-15,18,25-26H,7H2,(H2,20,21)(H,23,27);1-4,6-7,9-10,12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t13?,14-,16?,17+,20-;13-,15?,16+,19-;12-,14?,15+,18-;9-,10?,12+,16-/m1111/s1.
What are the key properties of 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide?
2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 1586.58 g/mol, XLogP of -1.85, 19 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 161388958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).