5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C15H14F3N5 — CID 75370689

IUPAC5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1n[nH]c2c1CN(Cc1cn3ccccc3n1)CC2
InChIInChI=1S/C15H14F3N5/c16-15(17,18)14-11-9-22(6-4-12(11)20-21-14)7-10-8-23-5-2-1-3-13(23)19-10/h1-3,5,8H,4,6-7,9H2,(H,20,21)
InChIKeyAJJQDKGRFSFHAA-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.63
Rot. Bonds2

About 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 75370689) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID75370689
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1n[nH]c2c1CN(Cc1cn3ccccc3n1)CC2
InChIInChI=1S/C15H14F3N5/c16-15(17,18)14-11-9-22(6-4-12(11)20-21-14)7-10-8-23-5-2-1-3-13(23)19-10/h1-3,5,8H,4,6-7,9H2,(H,20,21)
InChIKeyAJJQDKGRFSFHAA-UHFFFAOYSA-N
XLogP2.63
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 75370689) is 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is FC(F)(F)c1n[nH]c2c1CN(Cc1cn3ccccc3n1)CC2.
What is the InChIKey of 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is AJJQDKGRFSFHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5/c16-15(17,18)14-11-9-22(6-4-12(11)20-21-14)7-10-8-23-5-2-1-3-13(23)19-10/h1-3,5,8H,4,6-7,9H2,(H,20,21).
What are the key properties of 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 321.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 75370689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).