7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C19H16F4N6 — CID 11269688

IUPAC7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2cc(C(F)(F)F)nc12
InChIInChI=1S/C19H16F4N6/c1-2-4-12-14(25-11-29-10-15(19(21,22)23)27-17(12)29)9-28-8-7-24-18(28)13-5-3-6-16(20)26-13/h3,5-8,10-11H,2,4,9H2,1H3
InChIKeyCKJFUXWLEOSRIX-UHFFFAOYSA-N
MW404.37 g/mol
LogP4.15
Rot. Bonds5

About 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine

7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 11269688) has the molecular formula C19H16F4N6 and a molecular weight of 404.37 g/mol. Its IUPAC name is 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID11269688
Molecular FormulaC19H16F4N6
Molecular Weight404.37 g/mol
Exact Mass404.14
IUPAC Name7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2cc(C(F)(F)F)nc12
InChIInChI=1S/C19H16F4N6/c1-2-4-12-14(25-11-29-10-15(19(21,22)23)27-17(12)29)9-28-8-7-24-18(28)13-5-3-6-16(20)26-13/h3,5-8,10-11H,2,4,9H2,1H3
InChIKeyCKJFUXWLEOSRIX-UHFFFAOYSA-N
XLogP4.15
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 11269688) is 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2cc(C(F)(F)F)nc12.
What is the InChIKey of 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is CKJFUXWLEOSRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N6/c1-2-4-12-14(25-11-29-10-15(19(21,22)23)27-17(12)29)9-28-8-7-24-18(28)13-5-3-6-16(20)26-13/h3,5-8,10-11H,2,4,9H2,1H3.
What are the key properties of 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 404.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 11269688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).