2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide

C17H26N6O4 — CID 59546503

IUPAC2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide
SMILESCCCCC(N)C(=O)N[C@H]1C(O)[C@@H](CO)O[C@H]1n1cnc2c(N)ccnc21
InChIInChI=1S/C17H26N6O4/c1-2-3-4-10(19)16(26)22-13-14(25)11(7-24)27-17(13)23-8-21-12-9(18)5-6-20-15(12)23/h5-6,8,10-11,13-14,17,24-25H,2-4,7,19H2,1H3,(H2,18,20)(H,22,26)/t10?,11-,13+,14?,17-/m1/s1
InChIKeyOKTBNMHSOGHBLL-LOIQQBJCSA-N
MW378.43 g/mol
LogP-0.73
Rot. Bonds7

About 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide

2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide (PubChem CID 59546503) has the molecular formula C17H26N6O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide
PubChem CID59546503
Molecular FormulaC17H26N6O4
Molecular Weight378.43 g/mol
Exact Mass378.20
IUPAC Name2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide
SMILESCCCCC(N)C(=O)N[C@H]1C(O)[C@@H](CO)O[C@H]1n1cnc2c(N)ccnc21
InChIInChI=1S/C17H26N6O4/c1-2-3-4-10(19)16(26)22-13-14(25)11(7-24)27-17(13)23-8-21-12-9(18)5-6-20-15(12)23/h5-6,8,10-11,13-14,17,24-25H,2-4,7,19H2,1H3,(H2,18,20)(H,22,26)/t10?,11-,13+,14?,17-/m1/s1
InChIKeyOKTBNMHSOGHBLL-LOIQQBJCSA-N
XLogP-0.73
TPSA161.54 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 5-0.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide
CID 137061818
(2S)-2-amino-N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-phenylpropanamide
CID 102086048
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
(2S,3S)-2-amino-N-[(2S)-1-[[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]-3-methylpentanamide
CID 102086043
2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide;methane
CID 161273407
(2S)-2,6-diamino-N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide
CID 22899181
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide?
The IUPAC name of 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) is 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide.
What is the SMILES notation for 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide?
The canonical SMILES for 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide is CCCCC(N)C(=O)N[C@H]1C(O)[C@@H](CO)O[C@H]1n1cnc2c(N)ccnc21.
What is the InChIKey of 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide?
The InChIKey is OKTBNMHSOGHBLL-LOIQQBJCSA-N. The full InChI is InChI=1S/C17H26N6O4/c1-2-3-4-10(19)16(26)22-13-14(25)11(7-24)27-17(13)23-8-21-12-9(18)5-6-20-15(12)23/h5-6,8,10-11,13-14,17,24-25H,2-4,7,19H2,1H3,(H2,18,20)(H,22,26)/t10?,11-,13+,14?,17-/m1/s1.
What are the key properties of 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide?
2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide has a molecular weight of 378.43 g/mol, XLogP of -0.73, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide is sourced from PubChem (CID 59546503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).