7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C17H18FN5O3 — CID 56703966

IUPAC7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESNC(=O)c1cnc2n1CCN(C(=O)CCNC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H18FN5O3/c18-12-3-1-11(2-4-12)17(26)20-6-5-15(24)22-7-8-23-13(16(19)25)9-21-14(23)10-22/h1-4,9H,5-8,10H2,(H2,19,25)(H,20,26)
InChIKeyAAHAEONLWHUVIW-UHFFFAOYSA-N
MW359.36 g/mol
LogP0.28
Rot. Bonds5

About 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 56703966) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID56703966
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESNC(=O)c1cnc2n1CCN(C(=O)CCNC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H18FN5O3/c18-12-3-1-11(2-4-12)17(26)20-6-5-15(24)22-7-8-23-13(16(19)25)9-21-14(23)10-22/h1-4,9H,5-8,10H2,(H2,19,25)(H,20,26)
InChIKeyAAHAEONLWHUVIW-UHFFFAOYSA-N
XLogP0.28
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 56703966) is 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is NC(=O)c1cnc2n1CCN(C(=O)CCNC(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is AAHAEONLWHUVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3/c18-12-3-1-11(2-4-12)17(26)20-6-5-15(24)22-7-8-23-13(16(19)25)9-21-14(23)10-22/h1-4,9H,5-8,10H2,(H2,19,25)(H,20,26).
What are the key properties of 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 56703966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).