6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one

C14H20N4O4 — CID 170315545

IUPAC6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESCCC[C@H]1[C@@H](O)[C@H](n2cnc3c(=O)[nH]c(N)cc32)O[C@@H]1CO
InChIInChI=1S/C14H20N4O4/c1-2-3-7-9(5-19)22-14(12(7)20)18-6-16-11-8(18)4-10(15)17-13(11)21/h4,6-7,9,12,14,19-20H,2-3,5H2,1H3,(H3,15,17,21)/t7-,9-,12-,14-/m1/s1
InChIKeyLNHQAMIGSFEQDC-AMJCQUEASA-N
MW308.34 g/mol
LogP-0.03
Rot. Bonds4

About 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one

6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 170315545) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID170315545
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESCCC[C@H]1[C@@H](O)[C@H](n2cnc3c(=O)[nH]c(N)cc32)O[C@@H]1CO
InChIInChI=1S/C14H20N4O4/c1-2-3-7-9(5-19)22-14(12(7)20)18-6-16-11-8(18)4-10(15)17-13(11)21/h4,6-7,9,12,14,19-20H,2-3,5H2,1H3,(H3,15,17,21)/t7-,9-,12-,14-/m1/s1
InChIKeyLNHQAMIGSFEQDC-AMJCQUEASA-N
XLogP-0.03
TPSA126.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one with MolForge

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Related Compounds

6-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 46874464
2-amino-9-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-propoxyethyl)oxolan-2-yl]-1H-purin-6-one
CID 169308783
2-amino-9-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136928994
[(2S,3S,4R,5R)-5-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-3-(butoxymethyl)-4-hydroxyoxolan-2-yl]methoxy-imidazol-1-ylphosphinic acid
CID 170315403
2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 135418169
2-amino-9-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 137067944
2-amino-9-(3,4-dihydroxy-5-propyloxolan-2-yl)-1H-purin-6-one
CID 137081388
[[(2S,3S,4S,5R)-5-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl] dihydrogen phosphate
CID 54335023
[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid
CID 174011391
2-amino-9-[(2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135797824
2-amino-9-[(2R,3R,4S,5S)-4-(azidomethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136928993
N-[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]methyl]formamide
CID 170315037

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one (CID 170315545) is 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one is CCC[C@H]1[C@@H](O)[C@H](n2cnc3c(=O)[nH]c(N)cc32)O[C@@H]1CO.
What is the InChIKey of 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is LNHQAMIGSFEQDC-AMJCQUEASA-N. The full InChI is InChI=1S/C14H20N4O4/c1-2-3-7-9(5-19)22-14(12(7)20)18-6-16-11-8(18)4-10(15)17-13(11)21/h4,6-7,9,12,14,19-20H,2-3,5H2,1H3,(H3,15,17,21)/t7-,9-,12-,14-/m1/s1.
What are the key properties of 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one?
6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 308.34 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 170315545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).