2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile

C18H15FN8 — CID 11337408

IUPAC2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1nccn1Cc1ncn2ncnc2c1CCCF
InChIInChI=1S/C18H15FN8/c19-5-1-4-14-15(24-12-27-17(14)23-11-25-27)10-26-8-7-22-18(26)16-13(9-20)3-2-6-21-16/h2-3,6-8,11-12H,1,4-5,10H2
InChIKeySQZVKGOCXXJDRW-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.20
Rot. Bonds6

About 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile

2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile (PubChem CID 11337408) has the molecular formula C18H15FN8 and a molecular weight of 362.37 g/mol. Its IUPAC name is 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile
PubChem CID11337408
Molecular FormulaC18H15FN8
Molecular Weight362.37 g/mol
Exact Mass362.14
IUPAC Name2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1nccn1Cc1ncn2ncnc2c1CCCF
InChIInChI=1S/C18H15FN8/c19-5-1-4-14-15(24-12-27-17(14)23-11-25-27)10-26-8-7-22-18(26)16-13(9-20)3-2-6-21-16/h2-3,6-8,11-12H,1,4-5,10H2
InChIKeySQZVKGOCXXJDRW-UHFFFAOYSA-N
XLogP2.20
TPSA97.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile (CID 11337408) is 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile is N#Cc1cccnc1-c1nccn1Cc1ncn2ncnc2c1CCCF.
What is the InChIKey of 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile?
The InChIKey is SQZVKGOCXXJDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN8/c19-5-1-4-14-15(24-12-27-17(14)23-11-25-27)10-26-8-7-22-18(26)16-13(9-20)3-2-6-21-16/h2-3,6-8,11-12H,1,4-5,10H2.
What are the key properties of 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile?
2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 362.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 11337408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).