3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

C7H8F2N4O2 — CID 118613839

IUPAC3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESNC(=O)c1nc2c(n1C(F)F)CN(O)C2
InChIInChI=1S/C7H8F2N4O2/c8-7(9)13-4-2-12(15)1-3(4)11-6(13)5(10)14/h7,15H,1-2H2,(H2,10,14)
InChIKeyYSXAFUDDQRLURT-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.08
Rot. Bonds2

About 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613839) has the molecular formula C7H8F2N4O2 and a molecular weight of 218.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613839
Molecular FormulaC7H8F2N4O2
Molecular Weight218.16 g/mol
Exact Mass218.06
IUPAC Name3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESNC(=O)c1nc2c(n1C(F)F)CN(O)C2
InChIInChI=1S/C7H8F2N4O2/c8-7(9)13-4-2-12(15)1-3(4)11-6(13)5(10)14/h7,15H,1-2H2,(H2,10,14)
InChIKeyYSXAFUDDQRLURT-UHFFFAOYSA-N
XLogP0.08
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613839) is 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is NC(=O)c1nc2c(n1C(F)F)CN(O)C2.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is YSXAFUDDQRLURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O2/c8-7(9)13-4-2-12(15)1-3(4)11-6(13)5(10)14/h7,15H,1-2H2,(H2,10,14).
What are the key properties of 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 218.16 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).