(R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine

C25H25FN10 — CID 118032864

IUPAC(R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine
SMILESCn1cc(-c2cc3c(N4CCN(c5ncc([C@H](N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1
InChIInChI=1S/C25H25FN10/c1-33-14-20(13-31-33)18-10-22-24(30-16-32-36(22)15-18)34-6-8-35(9-7-34)25-28-11-19(12-29-25)23(27)17-2-4-21(26)5-3-17/h2-5,10-16,23H,6-9,27H2,1H3/t23-/m1/s1
InChIKeyQOVGQXCSKGFJDL-HSZRJFAPSA-N
MW484.54 g/mol
LogP2.43
Rot. Bonds5

About (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine

(R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine (PubChem CID 118032864) has the molecular formula C25H25FN10 and a molecular weight of 484.54 g/mol. Its IUPAC name is (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name(R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine
PubChem CID118032864
Molecular FormulaC25H25FN10
Molecular Weight484.54 g/mol
Exact Mass484.22
IUPAC Name(R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine
SMILESCn1cc(-c2cc3c(N4CCN(c5ncc([C@H](N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1
InChIInChI=1S/C25H25FN10/c1-33-14-20(13-31-33)18-10-22-24(30-16-32-36(22)15-18)34-6-8-35(9-7-34)25-28-11-19(12-29-25)23(27)17-2-4-21(26)5-3-17/h2-5,10-16,23H,6-9,27H2,1H3/t23-/m1/s1
InChIKeyQOVGQXCSKGFJDL-HSZRJFAPSA-N
XLogP2.43
TPSA106.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine?
The IUPAC name of (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine (CID 118032864) is (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine?
The canonical SMILES for (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine is Cn1cc(-c2cc3c(N4CCN(c5ncc([C@H](N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1.
What is the InChIKey of (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine?
The InChIKey is QOVGQXCSKGFJDL-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25FN10/c1-33-14-20(13-31-33)18-10-22-24(30-16-32-36(22)15-18)34-6-8-35(9-7-34)25-28-11-19(12-29-25)23(27)17-2-4-21(26)5-3-17/h2-5,10-16,23H,6-9,27H2,1H3/t23-/m1/s1.
What are the key properties of (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine?
(R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine has a molecular weight of 484.54 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 118032864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).