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

C16H23FN6O4 — CID 59546507

IUPAC2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
SMILESNc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)C(N)CCCF
InChIInChI=1S/C16H23FN6O4/c17-4-1-2-9(19)15(26)22-12-13(25)10(6-24)27-16(12)23-7-21-11-8(18)3-5-20-14(11)23/h3,5,7,9-10,12-13,16,24-25H,1-2,4,6,19H2,(H2,18,20)(H,22,26)/t9?,10-,12+,13?,16-/m1/s1
InChIKeyXHNLIIRGDURHKZ-WFLJECCPSA-N
MW382.40 g/mol
LogP-1.17
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]-5-fluoropentanamide

2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide (PubChem CID 59546507) has the molecular formula C16H23FN6O4 and a molecular weight of 382.40 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]-5-fluoropentanamide.

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]-5-fluoropentanamide
PubChem CID59546507
Molecular FormulaC16H23FN6O4
Molecular Weight382.40 g/mol
Exact Mass382.18
IUPAC Name2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
SMILESNc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)C(N)CCCF
InChIInChI=1S/C16H23FN6O4/c17-4-1-2-9(19)15(26)22-12-13(25)10(6-24)27-16(12)23-7-21-11-8(18)3-5-20-14(11)23/h3,5,7,9-10,12-13,16,24-25H,1-2,4,6,19H2,(H2,18,20)(H,22,26)/t9?,10-,12+,13?,16-/m1/s1
InChIKeyXHNLIIRGDURHKZ-WFLJECCPSA-N
XLogP-1.17
TPSA161.54 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 5-1.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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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]hexanamide
CID 59546503
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-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-phenylpropanamide
CID 102086048
(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-(4-amino-7-fluorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide
CID 58916096
2-amino-N-[(2S,4S,5R)-5-(4-amino-7-fluorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide
CID 59546498
(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
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-[(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
2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide
CID 137061818
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
N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide
CID 10000074

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]-5-fluoropentanamide?
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]-5-fluoropentanamide (CID 59546507) is 2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide.
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]-5-fluoropentanamide?
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]-5-fluoropentanamide is Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1NC(=O)C(N)CCCF.
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]-5-fluoropentanamide?
The InChIKey is XHNLIIRGDURHKZ-WFLJECCPSA-N. The full InChI is InChI=1S/C16H23FN6O4/c17-4-1-2-9(19)15(26)22-12-13(25)10(6-24)27-16(12)23-7-21-11-8(18)3-5-20-14(11)23/h3,5,7,9-10,12-13,16,24-25H,1-2,4,6,19H2,(H2,18,20)(H,22,26)/t9?,10-,12+,13?,16-/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]-5-fluoropentanamide?
2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide has a molecular weight of 382.40 g/mol, XLogP of -1.17, 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]-5-fluoropentanamide is sourced from PubChem (CID 59546507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).