1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol

C25H25FN10O — CID 123964513

IUPAC1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
SMILESCn1cc(-c2cc3c(N4CCN(c5ncc(C(C)(O)c6ccc(F)cn6)cn5)CC4)ncnn3c2)cn1
InChIInChI=1S/C25H25FN10O/c1-25(37,22-4-3-20(26)13-27-22)19-11-28-24(29-12-19)35-7-5-34(6-8-35)23-21-9-17(15-36(21)32-16-30-23)18-10-31-33(2)14-18/h3-4,9-16,37H,5-8H2,1-2H3
InChIKeyOURCPOQFVVLVQN-UHFFFAOYSA-N
MW500.54 g/mol
LogP2.04
Rot. Bonds5

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

1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol (PubChem CID 123964513) has the molecular formula C25H25FN10O and a molecular weight of 500.54 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
PubChem CID123964513
Molecular FormulaC25H25FN10O
Molecular Weight500.54 g/mol
Exact Mass500.22
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
SMILESCn1cc(-c2cc3c(N4CCN(c5ncc(C(C)(O)c6ccc(F)cn6)cn5)CC4)ncnn3c2)cn1
InChIInChI=1S/C25H25FN10O/c1-25(37,22-4-3-20(26)13-27-22)19-11-28-24(29-12-19)35-7-5-34(6-8-35)23-21-9-17(15-36(21)32-16-30-23)18-10-31-33(2)14-18/h3-4,9-16,37H,5-8H2,1-2H3
InChIKeyOURCPOQFVVLVQN-UHFFFAOYSA-N
XLogP2.04
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.54
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol (CID 123964513) is 1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol is Cn1cc(-c2cc3c(N4CCN(c5ncc(C(C)(O)c6ccc(F)cn6)cn5)CC4)ncnn3c2)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol?
The InChIKey is OURCPOQFVVLVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN10O/c1-25(37,22-4-3-20(26)13-27-22)19-11-28-24(29-12-19)35-7-5-34(6-8-35)23-21-9-17(15-36(21)32-16-30-23)18-10-31-33(2)14-18/h3-4,9-16,37H,5-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol?
1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol has a molecular weight of 500.54 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 123964513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).