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

C24H27FN8O — CID 126484348

IUPAC2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1cccc(-c2nc(Nc3ccncc3F)c3c(CN4CCN(CCO)CC4)ccn3n2)n1
InChIInChI=1S/C24H27FN8O/c1-17-3-2-4-21(27-17)23-29-24(28-20-5-7-26-15-19(20)25)22-18(6-8-33(22)30-23)16-32-11-9-31(10-12-32)13-14-34/h2-8,15,34H,9-14,16H2,1H3,(H,26,28,29,30)
InChIKeyRUOPHYGFDHANJX-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.49
Rot. Bonds7

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

2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 126484348) has the molecular formula C24H27FN8O and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol
PubChem CID126484348
Molecular FormulaC24H27FN8O
Molecular Weight462.53 g/mol
Exact Mass462.23
IUPAC Name2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1cccc(-c2nc(Nc3ccncc3F)c3c(CN4CCN(CCO)CC4)ccn3n2)n1
InChIInChI=1S/C24H27FN8O/c1-17-3-2-4-21(27-17)23-29-24(28-20-5-7-26-15-19(20)25)22-18(6-8-33(22)30-23)16-32-11-9-31(10-12-32)13-14-34/h2-8,15,34H,9-14,16H2,1H3,(H,26,28,29,30)
InChIKeyRUOPHYGFDHANJX-UHFFFAOYSA-N
XLogP2.49
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol (CID 126484348) is 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol is Cc1cccc(-c2nc(Nc3ccncc3F)c3c(CN4CCN(CCO)CC4)ccn3n2)n1.
What is the InChIKey of 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is RUOPHYGFDHANJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O/c1-17-3-2-4-21(27-17)23-29-24(28-20-5-7-26-15-19(20)25)22-18(6-8-33(22)30-23)16-32-11-9-31(10-12-32)13-14-34/h2-8,15,34H,9-14,16H2,1H3,(H,26,28,29,30).
What are the key properties of 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 462.53 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 126484348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).