1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone

C24H26N8O — CID 130363065

IUPAC1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3cc(-c4ccnn4C4CC4)c4c(N)ncnn34)c2)CC1
InChIInChI=1S/C24H26N8O/c1-16(33)29-9-11-30(12-10-29)19-4-2-3-17(13-19)22-14-20(23-24(25)26-15-28-32(22)23)21-7-8-27-31(21)18-5-6-18/h2-4,7-8,13-15,18H,5-6,9-12H2,1H3,(H2,25,26,28)
InChIKeyCKNUTANRFRGJSU-UHFFFAOYSA-N
MW442.53 g/mol
LogP2.85
Rot. Bonds4

About 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone

1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 130363065) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID130363065
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3cc(-c4ccnn4C4CC4)c4c(N)ncnn34)c2)CC1
InChIInChI=1S/C24H26N8O/c1-16(33)29-9-11-30(12-10-29)19-4-2-3-17(13-19)22-14-20(23-24(25)26-15-28-32(22)23)21-7-8-27-31(21)18-5-6-18/h2-4,7-8,13-15,18H,5-6,9-12H2,1H3,(H2,25,26,28)
InChIKeyCKNUTANRFRGJSU-UHFFFAOYSA-N
XLogP2.85
TPSA97.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone (CID 130363065) is 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(-c3cc(-c4ccnn4C4CC4)c4c(N)ncnn34)c2)CC1.
What is the InChIKey of 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is CKNUTANRFRGJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-16(33)29-9-11-30(12-10-29)19-4-2-3-17(13-19)22-14-20(23-24(25)26-15-28-32(22)23)21-7-8-27-31(21)18-5-6-18/h2-4,7-8,13-15,18H,5-6,9-12H2,1H3,(H2,25,26,28).
What are the key properties of 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone?
1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 442.53 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-amino-5-(2-cyclopropylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 130363065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).