1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine

C26H24FN9 — CID 167019118

IUPAC1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine
SMILESCC(N)(c1ccc(F)cc1)c1cnc(N2CC=C(c3ncnn4cc(-c5cn[nH]c5)cc34)CC2)nc1
InChIInChI=1S/C26H24FN9/c1-26(28,20-2-4-22(27)5-3-20)21-13-29-25(30-14-21)35-8-6-17(7-9-35)24-23-10-18(19-11-32-33-12-19)15-36(23)34-16-31-24/h2-6,10-16H,7-9,28H2,1H3,(H,32,33)
InChIKeyGVOHEWJFVUZEPT-UHFFFAOYSA-N
MW481.54 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine

1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine (PubChem CID 167019118) has the molecular formula C26H24FN9 and a molecular weight of 481.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine
PubChem CID167019118
Molecular FormulaC26H24FN9
Molecular Weight481.54 g/mol
Exact Mass481.21
IUPAC Name1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine
SMILESCC(N)(c1ccc(F)cc1)c1cnc(N2CC=C(c3ncnn4cc(-c5cn[nH]c5)cc34)CC2)nc1
InChIInChI=1S/C26H24FN9/c1-26(28,20-2-4-22(27)5-3-20)21-13-29-25(30-14-21)35-8-6-17(7-9-35)24-23-10-18(19-11-32-33-12-19)15-36(23)34-16-31-24/h2-6,10-16H,7-9,28H2,1H3,(H,32,33)
InChIKeyGVOHEWJFVUZEPT-UHFFFAOYSA-N
XLogP3.56
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine (CID 167019118) is 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine is CC(N)(c1ccc(F)cc1)c1cnc(N2CC=C(c3ncnn4cc(-c5cn[nH]c5)cc34)CC2)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine?
The InChIKey is GVOHEWJFVUZEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN9/c1-26(28,20-2-4-22(27)5-3-20)21-13-29-25(30-14-21)35-8-6-17(7-9-35)24-23-10-18(19-11-32-33-12-19)15-36(23)34-16-31-24/h2-6,10-16H,7-9,28H2,1H3,(H,32,33).
What are the key properties of 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine?
1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine has a molecular weight of 481.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 167019118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).