6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine

C15H9F4N7 — CID 134517315

IUPAC6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
SMILESFc1ccc2c(Cc3cncnc3)nc(-c3n[nH]c(C(F)(F)F)n3)n2c1
InChIInChI=1S/C15H9F4N7/c16-9-1-2-11-10(3-8-4-20-7-21-5-8)22-13(26(11)6-9)12-23-14(25-24-12)15(17,18)19/h1-2,4-7H,3H2,(H,23,24,25)
InChIKeyRMJZJXYKXPWMPK-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.66
Rot. Bonds3

About 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine

6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (PubChem CID 134517315) has the molecular formula C15H9F4N7 and a molecular weight of 363.28 g/mol. Its IUPAC name is 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
PubChem CID134517315
Molecular FormulaC15H9F4N7
Molecular Weight363.28 g/mol
Exact Mass363.09
IUPAC Name6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
SMILESFc1ccc2c(Cc3cncnc3)nc(-c3n[nH]c(C(F)(F)F)n3)n2c1
InChIInChI=1S/C15H9F4N7/c16-9-1-2-11-10(3-8-4-20-7-21-5-8)22-13(26(11)6-9)12-23-14(25-24-12)15(17,18)19/h1-2,4-7H,3H2,(H,23,24,25)
InChIKeyRMJZJXYKXPWMPK-UHFFFAOYSA-N
XLogP2.66
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The IUPAC name of 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (CID 134517315) is 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The canonical SMILES for 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine is Fc1ccc2c(Cc3cncnc3)nc(-c3n[nH]c(C(F)(F)F)n3)n2c1.
What is the InChIKey of 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The InChIKey is RMJZJXYKXPWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N7/c16-9-1-2-11-10(3-8-4-20-7-21-5-8)22-13(26(11)6-9)12-23-14(25-24-12)15(17,18)19/h1-2,4-7H,3H2,(H,23,24,25).
What are the key properties of 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine has a molecular weight of 363.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 134517315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).