2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol

C19H17FN6O2 — CID 126499797

IUPAC2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CCO)ccn3n2)n1
InChIInChI=1S/C19H17FN6O2/c1-28-16-4-2-3-15(22-16)18-24-19(23-14-5-8-21-11-13(14)20)17-12(7-10-27)6-9-26(17)25-18/h2-6,8-9,11,27H,7,10H2,1H3,(H,21,23,24,25)
InChIKeyTZHUOJMJMQETOD-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol

2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol (PubChem CID 126499797) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol
PubChem CID126499797
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CCO)ccn3n2)n1
InChIInChI=1S/C19H17FN6O2/c1-28-16-4-2-3-15(22-16)18-24-19(23-14-5-8-21-11-13(14)20)17-12(7-10-27)6-9-26(17)25-18/h2-6,8-9,11,27H,7,10H2,1H3,(H,21,23,24,25)
InChIKeyTZHUOJMJMQETOD-UHFFFAOYSA-N
XLogP2.61
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol?
The IUPAC name of 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol (CID 126499797) is 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol?
The canonical SMILES for 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol is COc1cccc(-c2nc(Nc3ccncc3F)c3c(CCO)ccn3n2)n1.
What is the InChIKey of 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol?
The InChIKey is TZHUOJMJMQETOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-28-16-4-2-3-15(22-16)18-24-19(23-14-5-8-21-11-13(14)20)17-12(7-10-27)6-9-26(17)25-18/h2-6,8-9,11,27H,7,10H2,1H3,(H,21,23,24,25).
What are the key properties of 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol?
2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol has a molecular weight of 380.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanol is sourced from PubChem (CID 126499797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).