2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H22N8O — CID 89083182

IUPAC2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=C(c1ccco1)N1CCN(c2nc(Nc3cc(C)[nH]n3)c3cccn3n2)CC1
InChIInChI=1S/C20H22N8O/c1-14-13-18(24-23-14)21-19-16-5-3-7-28(16)25-20(22-19)27-10-8-26(9-11-27)15(2)17-6-4-12-29-17/h3-7,12-13H,2,8-11H2,1H3,(H2,21,22,23,24,25)
InChIKeyMLKFWWHRZGZSNI-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.89
Rot. Bonds5

About 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 89083182) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID89083182
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=C(c1ccco1)N1CCN(c2nc(Nc3cc(C)[nH]n3)c3cccn3n2)CC1
InChIInChI=1S/C20H22N8O/c1-14-13-18(24-23-14)21-19-16-5-3-7-28(16)25-20(22-19)27-10-8-26(9-11-27)15(2)17-6-4-12-29-17/h3-7,12-13H,2,8-11H2,1H3,(H2,21,22,23,24,25)
InChIKeyMLKFWWHRZGZSNI-UHFFFAOYSA-N
XLogP2.89
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone
CID 58532762
(1-hydroxycyclopropyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532779
[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,2,5-oxadiazol-3-yl)methanone
CID 58532738
(3E)-4-chloro-3-(1-chloroethenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]hexa-3,5-dien-1-one
CID 143973914
(2-chlorophenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 53319646
(4-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532719
(2R)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylethanone
CID 58532775
(2R)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 58532709
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532763
(2-bromo-6-methylphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532757
1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 58532716
methyl-[2-methyl-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 70902275

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 89083182) is 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is C=C(c1ccco1)N1CCN(c2nc(Nc3cc(C)[nH]n3)c3cccn3n2)CC1.
What is the InChIKey of 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MLKFWWHRZGZSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-14-13-18(24-23-14)21-19-16-5-3-7-28(16)25-20(22-19)27-10-8-26(9-11-27)15(2)17-6-4-12-29-17/h3-7,12-13H,2,8-11H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 390.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 89083182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).