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

C21H22FN7 — CID 11223056

IUPAC2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C3CCC3)nc12
InChIInChI=1S/C21H22FN7/c1-2-5-15-17(24-13-29-20(15)26-19(27-29)14-6-3-7-14)12-28-11-10-23-21(28)16-8-4-9-18(22)25-16/h4,8-11,13-14H,2-3,5-7,12H2,1H3
InChIKeyMDMNLRIIJCLGPZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.79
Rot. Bonds6

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

2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11223056) has the molecular formula C21H22FN7 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11223056
Molecular FormulaC21H22FN7
Molecular Weight391.45 g/mol
Exact Mass391.19
IUPAC Name2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C3CCC3)nc12
InChIInChI=1S/C21H22FN7/c1-2-5-15-17(24-13-29-20(15)26-19(27-29)14-6-3-7-14)12-28-11-10-23-21(28)16-8-4-9-18(22)25-16/h4,8-11,13-14H,2-3,5-7,12H2,1H3
InChIKeyMDMNLRIIJCLGPZ-UHFFFAOYSA-N
XLogP3.79
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11223056) is 2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C3CCC3)nc12.
What is the InChIKey of 2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is MDMNLRIIJCLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7/c1-2-5-15-17(24-13-29-20(15)26-19(27-29)14-6-3-7-14)12-28-11-10-23-21(28)16-8-4-9-18(22)25-16/h4,8-11,13-14H,2-3,5-7,12H2,1H3.
What are the key properties of 2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 391.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11223056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).