5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide

C11H15N5O5 — CID 23258214

IUPAC5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide
SMILESNC(=NO)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n2ccnc12
InChIInChI=1S/C11H15N5O5/c12-9(14-20)5-3-16(15-2-1-13-10(5)15)11-8(19)7(18)6(4-17)21-11/h1-3,6-8,11,17-20H,4H2,(H2,12,14)/t6-,7-,8-,11-/m1/s1
InChIKeyMKGBCHONLNBSNH-KCGFPETGSA-N
MW297.27 g/mol
LogP-2.16
Rot. Bonds3

About 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide

5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide (PubChem CID 23258214) has the molecular formula C11H15N5O5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide.

Molecular Properties

Compound Name5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide
PubChem CID23258214
Molecular FormulaC11H15N5O5
Molecular Weight297.27 g/mol
Exact Mass297.11
IUPAC Name5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide
SMILESNC(=NO)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n2ccnc12
InChIInChI=1S/C11H15N5O5/c12-9(14-20)5-3-16(15-2-1-13-10(5)15)11-8(19)7(18)6(4-17)21-11/h1-3,6-8,11,17-20H,4H2,(H2,12,14)/t6-,7-,8-,11-/m1/s1
InChIKeyMKGBCHONLNBSNH-KCGFPETGSA-N
XLogP-2.16
TPSA150.76 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-2.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxypyrrolo[2,3-d]triazine-5-carboximidamide
CID 135497044
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide
CID 11043933
(2S,3S,4S,5R)-2-(2-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 45093396
N',4-diamino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboximidamide
CID 175677675
(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 155513239
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazo[4,5-b]pyrazin-3-yloxolane-3,4-diol
CID 131878957
(2R,4S,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol
CID 162472621
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 70989848
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70641093
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane
CID 161460881
copper;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 174517530
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-naphthyridin-4-one
CID 23541591

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide?
The IUPAC name of 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide (CID 23258214) is 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide.
What is the SMILES notation for 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide?
The canonical SMILES for 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide is NC(=NO)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n2ccnc12.
What is the InChIKey of 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide?
The InChIKey is MKGBCHONLNBSNH-KCGFPETGSA-N. The full InChI is InChI=1S/C11H15N5O5/c12-9(14-20)5-3-16(15-2-1-13-10(5)15)11-8(19)7(18)6(4-17)21-11/h1-3,6-8,11,17-20H,4H2,(H2,12,14)/t6-,7-,8-,11-/m1/s1.
What are the key properties of 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide?
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide has a molecular weight of 297.27 g/mol, XLogP of -2.16, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazo[1,2-b]pyrazole-7-carboximidamide is sourced from PubChem (CID 23258214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).