2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

C18H16F3N7 — CID 11326654

IUPAC2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C(F)F)nc12
InChIInChI=1S/C18H16F3N7/c1-2-4-11-13(24-10-28-17(11)25-16(26-28)15(20)21)9-27-8-7-23-18(27)14-12(19)5-3-6-22-14/h3,5-8,10,15H,2,4,9H2,1H3
InChIKeyGKYYCIFMTQMTHX-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.46
Rot. Bonds6

About 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11326654) has the molecular formula C18H16F3N7 and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11326654
Molecular FormulaC18H16F3N7
Molecular Weight387.37 g/mol
Exact Mass387.14
IUPAC Name2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C(F)F)nc12
InChIInChI=1S/C18H16F3N7/c1-2-4-11-13(24-10-28-17(11)25-16(26-28)15(20)21)9-27-8-7-23-18(27)14-12(19)5-3-6-22-14/h3,5-8,10,15H,2,4,9H2,1H3
InChIKeyGKYYCIFMTQMTHX-UHFFFAOYSA-N
XLogP3.46
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11326654) is 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C(F)F)nc12.
What is the InChIKey of 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is GKYYCIFMTQMTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7/c1-2-4-11-13(24-10-28-17(11)25-16(26-28)15(20)21)9-27-8-7-23-18(27)14-12(19)5-3-6-22-14/h3,5-8,10,15H,2,4,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 387.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11326654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).