ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate

C21H21FN6O2 — CID 11189011

IUPACethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2c(C(=O)OCC)cnc12
InChIInChI=1S/C21H21FN6O2/c1-3-6-14-16(25-13-28-17(11-24-19(14)28)21(29)30-4-2)12-27-10-9-23-20(27)15-7-5-8-18(22)26-15/h5,7-11,13H,3-4,6,12H2,1-2H3
InChIKeyXDSDDIXLTYRNFQ-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.30
Rot. Bonds7

About ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate

ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate (PubChem CID 11189011) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
PubChem CID11189011
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Nameethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2c(C(=O)OCC)cnc12
InChIInChI=1S/C21H21FN6O2/c1-3-6-14-16(25-13-28-17(11-24-19(14)28)21(29)30-4-2)12-27-10-9-23-20(27)15-7-5-8-18(22)26-15/h5,7-11,13H,3-4,6,12H2,1-2H3
InChIKeyXDSDDIXLTYRNFQ-UHFFFAOYSA-N
XLogP3.30
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate (CID 11189011) is ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate is CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2c(C(=O)OCC)cnc12.
What is the InChIKey of ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate?
The InChIKey is XDSDDIXLTYRNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-3-6-14-16(25-13-28-17(11-24-19(14)28)21(29)30-4-2)12-27-10-9-23-20(27)15-7-5-8-18(22)26-15/h5,7-11,13H,3-4,6,12H2,1-2H3.
What are the key properties of ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate?
ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate has a molecular weight of 408.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate is sourced from PubChem (CID 11189011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).