3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine

C38H54N14O6S2 — CID 160733201

IUPAC3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine
SMILESCOC1C[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CSC.COCC1CN(C)CC(n2cnc3c(N)ccnc32)O1.COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1SC
InChIInChI=1S/C13H19N5O2.C13H18N4O2S.C12H17N5O2S/c1-17-5-9(7-19-2)20-11(6-17)18-8-16-12-10(14)3-4-15-13(12)18;1-18-9-5-11(19-10(9)6-20-2)17-7-16-12-8(14)3-4-15-13(12)17;1-18-4-7-8(20-2)3-9(19-7)17-6-16-10-11(13)14-5-15-12(10)17/h3-4,8-9,11H,5-7H2,1-2H3,(H2,14,15);3-4,7,9-11H,5-6H2,1-2H3,(H2,14,15);5-9H,3-4H2,1-2H3,(H2,13,14,15)/t;9?,10-,11-;7-,8?,9-/m.11/s1
InChIKeyRUPOUBVXVRSVPR-GCQFSNHVSA-N
MW867.08 g/mol
LogP3.24
Rot. Bonds11

About 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine

3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine (PubChem CID 160733201) has the molecular formula C38H54N14O6S2 and a molecular weight of 867.08 g/mol. Its IUPAC name is 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine
PubChem CID160733201
Molecular FormulaC38H54N14O6S2
Molecular Weight867.08 g/mol
Exact Mass866.38
IUPAC Name3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine
SMILESCOC1C[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CSC.COCC1CN(C)CC(n2cnc3c(N)ccnc32)O1.COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1SC
InChIInChI=1S/C13H19N5O2.C13H18N4O2S.C12H17N5O2S/c1-17-5-9(7-19-2)20-11(6-17)18-8-16-12-10(14)3-4-15-13(12)18;1-18-9-5-11(19-10(9)6-20-2)17-7-16-12-8(14)3-4-15-13(12)17;1-18-4-7-8(20-2)3-9(19-7)17-6-16-10-11(13)14-5-15-12(10)17/h3-4,8-9,11H,5-7H2,1-2H3,(H2,14,15);3-4,7,9-11H,5-6H2,1-2H3,(H2,14,15);5-9H,3-4H2,1-2H3,(H2,13,14,15)/t;9?,10-,11-;7-,8?,9-/m.11/s1
InChIKeyRUPOUBVXVRSVPR-GCQFSNHVSA-N
XLogP3.24
TPSA241.70 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.08
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine 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

3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine
CID 161092667
(2R,3S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 90321702
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843
9-[4-[hydroxy(methoxy)phosphinothioyl]oxy-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolan-2-yl]purin-6-amine
CID 89240282
5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol
CID 21344783
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 58319615
[(2R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxyoxolan-3-yl]oxy-oxidophosphoryl]oxyoxolan-2-yl]methoxy-methylphosphinate
CID 140680403
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxyphosphonamidous acid
CID 22875104
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 14823978
N-[[(2R,3R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R)-5-(6-aminopurin-9-yl)-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl]-1-methylimidazole-2-sulfonamide
CID 165006225

Frequently Asked Questions

What is the IUPAC name of 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine (CID 160733201) is 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine is COC1C[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CSC.COCC1CN(C)CC(n2cnc3c(N)ccnc32)O1.COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1SC.
What is the InChIKey of 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine?
The InChIKey is RUPOUBVXVRSVPR-GCQFSNHVSA-N. The full InChI is InChI=1S/C13H19N5O2.C13H18N4O2S.C12H17N5O2S/c1-17-5-9(7-19-2)20-11(6-17)18-8-16-12-10(14)3-4-15-13(12)18;1-18-9-5-11(19-10(9)6-20-2)17-7-16-12-8(14)3-4-15-13(12)17;1-18-4-7-8(20-2)3-9(19-7)17-6-16-10-11(13)14-5-15-12(10)17/h3-4,8-9,11H,5-7H2,1-2H3,(H2,14,15);3-4,7,9-11H,5-6H2,1-2H3,(H2,14,15);5-9H,3-4H2,1-2H3,(H2,13,14,15)/t;9?,10-,11-;7-,8?,9-/m.11/s1.
What are the key properties of 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine?
3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine has a molecular weight of 867.08 g/mol, XLogP of 3.24, 11 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 160733201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).