1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine

C20H14F2N6 — CID 138522262

IUPAC1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine
SMILESCc1nc2ncc(-c3ccn4ncncc34)cc2n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H14F2N6/c1-12-26-20-18(27(12)10-13-4-15(21)7-16(22)5-13)6-14(8-24-20)17-2-3-28-19(17)9-23-11-25-28/h2-9,11H,10H2,1H3
InChIKeyPOCDQVHDKSOGNM-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.78
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine

1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine (PubChem CID 138522262) has the molecular formula C20H14F2N6 and a molecular weight of 376.37 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine
PubChem CID138522262
Molecular FormulaC20H14F2N6
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine
SMILESCc1nc2ncc(-c3ccn4ncncc34)cc2n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H14F2N6/c1-12-26-20-18(27(12)10-13-4-15(21)7-16(22)5-13)6-14(8-24-20)17-2-3-28-19(17)9-23-11-25-28/h2-9,11H,10H2,1H3
InChIKeyPOCDQVHDKSOGNM-UHFFFAOYSA-N
XLogP3.78
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine (CID 138522262) is 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine is Cc1nc2ncc(-c3ccn4ncncc34)cc2n1Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine?
The InChIKey is POCDQVHDKSOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6/c1-12-26-20-18(27(12)10-13-4-15(21)7-16(22)5-13)6-14(8-24-20)17-2-3-28-19(17)9-23-11-25-28/h2-9,11H,10H2,1H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine?
1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine has a molecular weight of 376.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 138522262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).