N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide

C13H12FN7O3 — CID 166482308

IUPACN-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=CNc1nc(C(=O)NCc2ncc(F)cn2)n2c1CNC(=O)C2
InChIInChI=1S/C13H12FN7O3/c14-7-1-15-9(16-2-7)4-18-13(24)12-20-11(19-6-22)8-3-17-10(23)5-21(8)12/h1-2,6H,3-5H2,(H,17,23)(H,18,24)(H,19,22)
InChIKeyDRLXWYFDXQCUOM-UHFFFAOYSA-N
MW333.28 g/mol
LogP-1.06
Rot. Bonds5

About N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide

N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 166482308) has the molecular formula C13H12FN7O3 and a molecular weight of 333.28 g/mol. Its IUPAC name is N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID166482308
Molecular FormulaC13H12FN7O3
Molecular Weight333.28 g/mol
Exact Mass333.10
IUPAC NameN-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=CNc1nc(C(=O)NCc2ncc(F)cn2)n2c1CNC(=O)C2
InChIInChI=1S/C13H12FN7O3/c14-7-1-15-9(16-2-7)4-18-13(24)12-20-11(19-6-22)8-3-17-10(23)5-21(8)12/h1-2,6H,3-5H2,(H,17,23)(H,18,24)(H,19,22)
InChIKeyDRLXWYFDXQCUOM-UHFFFAOYSA-N
XLogP-1.06
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide (CID 166482308) is N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide is O=CNc1nc(C(=O)NCc2ncc(F)cn2)n2c1CNC(=O)C2.
What is the InChIKey of N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is DRLXWYFDXQCUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN7O3/c14-7-1-15-9(16-2-7)4-18-13(24)12-20-11(19-6-22)8-3-17-10(23)5-21(8)12/h1-2,6H,3-5H2,(H,17,23)(H,18,24)(H,19,22).
What are the key properties of N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide?
N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 333.28 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoropyrimidin-2-yl)methyl]-1-formamido-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 166482308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).