4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide

C17H21FN6O — CID 128629357

IUPAC4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide
SMILESCC1CC(NC(=O)N2CCN(c3ccc(F)cn3)CC2)c2nccn21
InChIInChI=1S/C17H21FN6O/c1-12-10-14(16-19-4-5-24(12)16)21-17(25)23-8-6-22(7-9-23)15-3-2-13(18)11-20-15/h2-5,11-12,14H,6-10H2,1H3,(H,21,25)
InChIKeyIBIASRUNZXBIPG-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.95
Rot. Bonds2

About 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide

4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide (PubChem CID 128629357) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide
PubChem CID128629357
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide
SMILESCC1CC(NC(=O)N2CCN(c3ccc(F)cn3)CC2)c2nccn21
InChIInChI=1S/C17H21FN6O/c1-12-10-14(16-19-4-5-24(12)16)21-17(25)23-8-6-22(7-9-23)15-3-2-13(18)11-20-15/h2-5,11-12,14H,6-10H2,1H3,(H,21,25)
InChIKeyIBIASRUNZXBIPG-UHFFFAOYSA-N
XLogP1.95
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide (CID 128629357) is 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide is CC1CC(NC(=O)N2CCN(c3ccc(F)cn3)CC2)c2nccn21.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide?
The InChIKey is IBIASRUNZXBIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-12-10-14(16-19-4-5-24(12)16)21-17(25)23-8-6-22(7-9-23)15-3-2-13(18)11-20-15/h2-5,11-12,14H,6-10H2,1H3,(H,21,25).
What are the key properties of 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide?
4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 128629357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).