2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol

C20H22FN7O — CID 11176903

IUPAC2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C(C)(C)O)nc12
InChIInChI=1S/C20H22FN7O/c1-4-6-13-15(23-12-28-17(13)25-19(26-28)20(2,3)29)11-27-10-9-22-18(27)14-7-5-8-16(21)24-14/h5,7-10,12,29H,4,6,11H2,1-3H3
InChIKeyJTXBWCRMHAVYJZ-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.75
Rot. Bonds6

About 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol

2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol (PubChem CID 11176903) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol
PubChem CID11176903
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C(C)(C)O)nc12
InChIInChI=1S/C20H22FN7O/c1-4-6-13-15(23-12-28-17(13)25-19(26-28)20(2,3)29)11-27-10-9-22-18(27)14-7-5-8-16(21)24-14/h5,7-10,12,29H,4,6,11H2,1-3H3
InChIKeyJTXBWCRMHAVYJZ-UHFFFAOYSA-N
XLogP2.75
TPSA94.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
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 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol (CID 11176903) is 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol is CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C(C)(C)O)nc12.
What is the InChIKey of 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol?
The InChIKey is JTXBWCRMHAVYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-4-6-13-15(23-12-28-17(13)25-19(26-28)20(2,3)29)11-27-10-9-22-18(27)14-7-5-8-16(21)24-14/h5,7-10,12,29H,4,6,11H2,1-3H3.
What are the key properties of 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol?
2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol has a molecular weight of 395.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 11176903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).