6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C26H26N8O — CID 118711892

IUPAC6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc(Nc2ncnn3cc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)cc23)ccn1
InChIInChI=1S/C26H26N8O/c1-3-21(23-16-29-33(17-23)10-9-32-11-13-35-14-12-32)4-2-20(1)22-15-25-26(28-19-30-34(25)18-22)31-24-5-7-27-8-6-24/h1-8,15-19H,9-14H2,(H,27,28,30,31)
InChIKeyONXYEFWHYPQKRV-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.73
Rot. Bonds7

About 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118711892) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118711892
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc(Nc2ncnn3cc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)cc23)ccn1
InChIInChI=1S/C26H26N8O/c1-3-21(23-16-29-33(17-23)10-9-32-11-13-35-14-12-32)4-2-20(1)22-15-25-26(28-19-30-34(25)18-22)31-24-5-7-27-8-6-24/h1-8,15-19H,9-14H2,(H,27,28,30,31)
InChIKeyONXYEFWHYPQKRV-UHFFFAOYSA-N
XLogP3.73
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118711892) is 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is c1cc(Nc2ncnn3cc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)cc23)ccn1.
What is the InChIKey of 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ONXYEFWHYPQKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c1-3-21(23-16-29-33(17-23)10-9-32-11-13-35-14-12-32)4-2-20(1)22-15-25-26(28-19-30-34(25)18-22)31-24-5-7-27-8-6-24/h1-8,15-19H,9-14H2,(H,27,28,30,31).
What are the key properties of 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 466.55 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118711892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).