5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C15H12F3N7 — CID 170258178

IUPAC5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCc1nc2ccc(-c3ccn4nc(N)ncc34)nc2n1CC(F)(F)F
InChIInChI=1S/C15H12F3N7/c1-8-21-11-3-2-10(22-13(11)24(8)7-15(16,17)18)9-4-5-25-12(9)6-20-14(19)23-25/h2-6H,7H2,1H3,(H2,19,23)
InChIKeyPYFBMGJDWFHXDQ-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.59
Rot. Bonds2

About 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170258178) has the molecular formula C15H12F3N7 and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170258178
Molecular FormulaC15H12F3N7
Molecular Weight347.30 g/mol
Exact Mass347.11
IUPAC Name5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCc1nc2ccc(-c3ccn4nc(N)ncc34)nc2n1CC(F)(F)F
InChIInChI=1S/C15H12F3N7/c1-8-21-11-3-2-10(22-13(11)24(8)7-15(16,17)18)9-4-5-25-12(9)6-20-14(19)23-25/h2-6H,7H2,1H3,(H2,19,23)
InChIKeyPYFBMGJDWFHXDQ-UHFFFAOYSA-N
XLogP2.59
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170258178) is 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is Cc1nc2ccc(-c3ccn4nc(N)ncc34)nc2n1CC(F)(F)F.
What is the InChIKey of 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is PYFBMGJDWFHXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N7/c1-8-21-11-3-2-10(22-13(11)24(8)7-15(16,17)18)9-4-5-25-12(9)6-20-14(19)23-25/h2-6H,7H2,1H3,(H2,19,23).
What are the key properties of 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 347.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170258178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).