2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide

C65H92N22O17 — CID 158527819

IUPAC2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)C(NC(=O)C(N)CCC)[C@@H]1O.C=C1NC(=O)c2ncn([C@@H]3O[C@H](CO)C(NC(=O)C(N)CCC)[C@@H]3O)c2N1.CC(C)C(N)C(=O)NC1[C@@H](CO)O[C@@H](n2cnc3c(N)ccnc32)[C@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)c2ccccc2)[C@@H]1O
InChIInChI=1S/C18H19N5O4.C16H24N6O5.C16H24N6O4.C15H25N5O4/c19-11-6-7-20-16-13(11)21-9-23(16)18-15(25)14(12(8-24)27-18)22-17(26)10-4-2-1-3-5-10;1-3-4-8(17)14(25)21-10-9(5-23)27-16(12(10)24)22-6-18-11-13(22)19-7(2)20-15(11)26;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/h1-7,9,12,14-15,18,24-25H,8H2,(H2,19,20)(H,22,26);6,8-10,12,16,19,23-24H,2-5,17H2,1H3,(H,20,26)(H,21,25);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)/t12-,14?,15+,18-;8?,9-,10?,12+,16-;9-,10?,12?,13+,16-;9?,10-,12?,13+,15-/m1111/s1
InChIKeyHMZOQDIRIOUWPE-GSDRHXKKSA-N
MW1453.59 g/mol
LogP-4.50
Rot. Bonds21

About 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide

2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide (PubChem CID 158527819) has the molecular formula C65H92N22O17 and a molecular weight of 1453.59 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-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide.

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-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide
PubChem CID158527819
Molecular FormulaC65H92N22O17
Molecular Weight1453.59 g/mol
Exact Mass1452.70
IUPAC Name2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)C(NC(=O)C(N)CCC)[C@@H]1O.C=C1NC(=O)c2ncn([C@@H]3O[C@H](CO)C(NC(=O)C(N)CCC)[C@@H]3O)c2N1.CC(C)C(N)C(=O)NC1[C@@H](CO)O[C@@H](n2cnc3c(N)ccnc32)[C@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)c2ccccc2)[C@@H]1O
InChIInChI=1S/C18H19N5O4.C16H24N6O5.C16H24N6O4.C15H25N5O4/c19-11-6-7-20-16-13(11)21-9-23(16)18-15(25)14(12(8-24)27-18)22-17(26)10-4-2-1-3-5-10;1-3-4-8(17)14(25)21-10-9(5-23)27-16(12(10)24)22-6-18-11-13(22)19-7(2)20-15(11)26;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/h1-7,9,12,14-15,18,24-25H,8H2,(H2,19,20)(H,22,26);6,8-10,12,16,19,23-24H,2-5,17H2,1H3,(H,20,26)(H,21,25);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)/t12-,14?,15+,18-;8?,9-,10?,12+,16-;9-,10?,12?,13+,16-;9?,10-,12?,13+,15-/m1111/s1
InChIKeyHMZOQDIRIOUWPE-GSDRHXKKSA-N
XLogP-4.50
TPSA607.25 Ų
H-Bond Donors20
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.59
LogP ≤ 5-4.50
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1034

Analyze 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-beta-D-ribofuranuronamide
CID 9833519
Isonicotinoyl-NADP+
CID 132274035
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
CID 90655901
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[3-carbamoyl-4-(2-ethylpyridine-4-carbonyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 129320503
[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(3R,4R)-4-[[[(2R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl hydrogen phosphate
CID 137635908
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[3-carbamoyl-4-(2-propylpyridine-4-carbonyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 145960006
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]oxolan-2-yl]purin-6-yl]benzamide
CID 51361615
CID 57390942
CID 57390942
CID 57390943
CID 57390943
CID 57390944
CID 57390944
CID 57390945
CID 57390945
CID 57392737
CID 57392737

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-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide?
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-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide (CID 158527819) is 2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide.
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-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide?
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-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide is C=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)C(NC(=O)C(N)CCC)[C@@H]1O.C=C1NC(=O)c2ncn([C@@H]3O[C@H](CO)C(NC(=O)C(N)CCC)[C@@H]3O)c2N1.CC(C)C(N)C(=O)NC1[C@@H](CO)O[C@@H](n2cnc3c(N)ccnc32)[C@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)c2ccccc2)[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-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide?
The InChIKey is HMZOQDIRIOUWPE-GSDRHXKKSA-N. The full InChI is InChI=1S/C18H19N5O4.C16H24N6O5.C16H24N6O4.C15H25N5O4/c19-11-6-7-20-16-13(11)21-9-23(16)18-15(25)14(12(8-24)27-18)22-17(26)10-4-2-1-3-5-10;1-3-4-8(17)14(25)21-10-9(5-23)27-16(12(10)24)22-6-18-11-13(22)19-7(2)20-15(11)26;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/h1-7,9,12,14-15,18,24-25H,8H2,(H2,19,20)(H,22,26);6,8-10,12,16,19,23-24H,2-5,17H2,1H3,(H,20,26)(H,21,25);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)/t12-,14?,15+,18-;8?,9-,10?,12+,16-;9-,10?,12?,13+,16-;9?,10-,12?,13+,15-/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-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide?
2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide has a molecular weight of 1453.59 g/mol, XLogP of -4.50, 21 rotatable bonds, 20 hydrogen bond donors, and 34 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-methylbutanamide;2-amino-N-[(2S,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide;2-amino-N-[(2S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-methylidene-6-oxo-3H-purin-9-yl)oxolan-3-yl]pentanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 158527819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).