N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide

C20H29F2N11O7 — CID 160895103

IUPACN'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide
SMILESNC(N)=NC(=O)c1ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)[nH]1.[H]/N=C(\N)N=C(N)c1ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)[nH]1
InChIInChI=1S/C10H15FN6O3.C10H14FN5O4/c11-5-6(19)4(2-18)20-7(5)3-1-15-9(16-3)8(12)17-10(13)14;11-5-6(18)4(2-17)20-7(5)3-1-14-8(15-3)9(19)16-10(12)13/h1,4-7,18-19H,2H2,(H,15,16)(H5,12,13,14,17);1,4-7,17-18H,2H2,(H,14,15)(H4,12,13,16,19)/t2*4-,5-,6-,7+/m11/s1
InChIKeySOTQXTMDNLHLDD-QOLOVMTGSA-N
MW573.52 g/mol
LogP-3.91
Rot. Bonds6

About N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide

N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide (PubChem CID 160895103) has the molecular formula C20H29F2N11O7 and a molecular weight of 573.52 g/mol. Its IUPAC name is N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide
PubChem CID160895103
Molecular FormulaC20H29F2N11O7
Molecular Weight573.52 g/mol
Exact Mass573.22
IUPAC NameN'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide
SMILESNC(N)=NC(=O)c1ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)[nH]1.[H]/N=C(\N)N=C(N)c1ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)[nH]1
InChIInChI=1S/C10H15FN6O3.C10H14FN5O4/c11-5-6(19)4(2-18)20-7(5)3-1-15-9(16-3)8(12)17-10(13)14;11-5-6(18)4(2-17)20-7(5)3-1-14-8(15-3)9(19)16-10(12)13/h1,4-7,18-19H,2H2,(H,15,16)(H5,12,13,14,17);1,4-7,17-18H,2H2,(H,14,15)(H4,12,13,16,19)/t2*4-,5-,6-,7+/m11/s1
InChIKeySOTQXTMDNLHLDD-QOLOVMTGSA-N
XLogP-3.91
TPSA326.46 Ų
H-Bond Donors11
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.52
LogP ≤ 5-3.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide (CID 160895103) is N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide is NC(N)=NC(=O)c1ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)[nH]1.[H]/N=C(\N)N=C(N)c1ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)[nH]1.
What is the InChIKey of N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide?
The InChIKey is SOTQXTMDNLHLDD-QOLOVMTGSA-N. The full InChI is InChI=1S/C10H15FN6O3.C10H14FN5O4/c11-5-6(19)4(2-18)20-7(5)3-1-15-9(16-3)8(12)17-10(13)14;11-5-6(18)4(2-17)20-7(5)3-1-14-8(15-3)9(19)16-10(12)13/h1,4-7,18-19H,2H2,(H,15,16)(H5,12,13,14,17);1,4-7,17-18H,2H2,(H,14,15)(H4,12,13,16,19)/t2*4-,5-,6-,7+/m11/s1.
What are the key properties of N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide?
N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide has a molecular weight of 573.52 g/mol, XLogP of -3.91, 6 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 160895103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).