2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide

C67H86FN21O16 — CID 91296399

IUPAC2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)[C@H](NC(=O)C(N)CCC)C1O.CC(C)C(N)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CO.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccc(F)cc2)C1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)C1O
InChIInChI=1S/C18H18FN5O4.C18H19N5O4.C16H24N6O4.C15H25N5O4/c19-10-3-1-9(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;19-11-6-7-20-16-13(11)21-9-23(16)18-15(25)14(12(8-24)27-18)22-17(26)10-4-2-1-3-5-10;1-7(2)10(18)15(25)21-12-9(5-23)26-16(13(12)24)22-6-20-11-8(17)3-4-19-14(11)22;1-3-4-9(16)14(23)19-12-10(7-21)24-15(13(12)22)20-6-5-11(17)18-8(20)2/h1-6,8,12,14-15,18,25-26H,7H2,(H2,20,21)(H,23,27);1-7,9,12,14-15,18,24-25H,8H2,(H2,19,20)(H,22,26);3-4,6-7,9-10,12-13,16,23-24H,5,18H2,1-2H3,(H2,17,19)(H,21,25);5-6,9-10,12-13,15,21-22H,2-4,7,16H2,1H3,(H2,17,18)(H,19,23)/t2*12-,14+,15?,18-;9-,10?,12+,13?,16-;9?,10-,12+,13?,15-/m1111/s1
InChIKeyWHHFHPPQUZPLKC-ATRVZQBCSA-N
MW1460.55 g/mol
LogP-2.67
Rot. Bonds19

About 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide

2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide (PubChem CID 91296399) has the molecular formula C67H86FN21O16 and a molecular weight of 1460.55 g/mol. Its IUPAC name is 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide
PubChem CID91296399
Molecular FormulaC67H86FN21O16
Molecular Weight1460.55 g/mol
Exact Mass1459.65
IUPAC Name2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)[C@H](NC(=O)C(N)CCC)C1O.CC(C)C(N)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CO.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccc(F)cc2)C1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)C1O
InChIInChI=1S/C18H18FN5O4.C18H19N5O4.C16H24N6O4.C15H25N5O4/c19-10-3-1-9(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;19-11-6-7-20-16-13(11)21-9-23(16)18-15(25)14(12(8-24)27-18)22-17(26)10-4-2-1-3-5-10;1-7(2)10(18)15(25)21-12-9(5-23)26-16(13(12)24)22-6-20-11-8(17)3-4-19-14(11)22;1-3-4-9(16)14(23)19-12-10(7-21)24-15(13(12)22)20-6-5-11(17)18-8(20)2/h1-6,8,12,14-15,18,25-26H,7H2,(H2,20,21)(H,23,27);1-7,9,12,14-15,18,24-25H,8H2,(H2,19,20)(H,22,26);3-4,6-7,9-10,12-13,16,23-24H,5,18H2,1-2H3,(H2,17,19)(H,21,25);5-6,9-10,12-13,15,21-22H,2-4,7,16H2,1H3,(H2,17,18)(H,19,23)/t2*12-,14+,15?,18-;9-,10?,12+,13?,16-;9?,10-,12+,13?,15-/m1111/s1
InChIKeyWHHFHPPQUZPLKC-ATRVZQBCSA-N
XLogP-2.67
TPSA579.01 Ų
H-Bond Donors18
H-Bond Acceptors33
Rotatable Bonds19
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.55
LogP ≤ 5-2.67
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1033

Analyze 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide with MolForge

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Related Compounds

2-amino-N-[(2S,4S,5R)-5-(4-amino-7-fluorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide
CID 59546498
2-amino-N-[(2S,3R,5R)-5-(4-amino-7-fluorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide
CID 58916096
2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide
CID 59546503
2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide
CID 137061818
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;methane
CID 157419103
2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide
CID 126489225
2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
CID 59546507
N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-(methoxymethoxymethylamino)pentanamide
CID 59546483
N-[(2R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 160506855
(2S)-2-amino-N-[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-phenylpropanamide
CID 131876900
2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
CID 126489267
(2S)-2-amino-N-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-6-(carbamoylamino)hexanamide
CID 101288446

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide?
The IUPAC name of 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide (CID 91296399) is 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide is C=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)[C@H](NC(=O)C(N)CCC)C1O.CC(C)C(N)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CO.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccc(F)cc2)C1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)C1O.
What is the InChIKey of 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide?
The InChIKey is WHHFHPPQUZPLKC-ATRVZQBCSA-N. The full InChI is InChI=1S/C18H18FN5O4.C18H19N5O4.C16H24N6O4.C15H25N5O4/c19-10-3-1-9(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;19-11-6-7-20-16-13(11)21-9-23(16)18-15(25)14(12(8-24)27-18)22-17(26)10-4-2-1-3-5-10;1-7(2)10(18)15(25)21-12-9(5-23)26-16(13(12)24)22-6-20-11-8(17)3-4-19-14(11)22;1-3-4-9(16)14(23)19-12-10(7-21)24-15(13(12)22)20-6-5-11(17)18-8(20)2/h1-6,8,12,14-15,18,25-26H,7H2,(H2,20,21)(H,23,27);1-7,9,12,14-15,18,24-25H,8H2,(H2,19,20)(H,22,26);3-4,6-7,9-10,12-13,16,23-24H,5,18H2,1-2H3,(H2,17,19)(H,21,25);5-6,9-10,12-13,15,21-22H,2-4,7,16H2,1H3,(H2,17,18)(H,19,23)/t2*12-,14+,15?,18-;9-,10?,12+,13?,16-;9?,10-,12+,13?,15-/m1111/s1.
What are the key properties of 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide?
2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide has a molecular weight of 1460.55 g/mol, XLogP of -2.67, 19 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 91296399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).