(2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone

C22H24N8O2 — CID 53318283

IUPAC(2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2nc(Nc3cc(C)[nH]n3)c3cccn3n2)CC1
InChIInChI=1S/C22H24N8O2/c1-15-14-19(26-25-15)23-20-17-7-5-9-30(17)27-22(24-20)29-12-10-28(11-13-29)21(31)16-6-3-4-8-18(16)32-2/h3-9,14H,10-13H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyLQCRFQWAROOYGX-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.48
Rot. Bonds5

About (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone (PubChem CID 53318283) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
PubChem CID53318283
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name(2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2nc(Nc3cc(C)[nH]n3)c3cccn3n2)CC1
InChIInChI=1S/C22H24N8O2/c1-15-14-19(26-25-15)23-20-17-7-5-9-30(17)27-22(24-20)29-12-10-28(11-13-29)21(31)16-6-3-4-8-18(16)32-2/h3-9,14H,10-13H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyLQCRFQWAROOYGX-UHFFFAOYSA-N
XLogP2.48
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-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 53318283) is (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(c2nc(Nc3cc(C)[nH]n3)c3cccn3n2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone?
The InChIKey is LQCRFQWAROOYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-15-14-19(26-25-15)23-20-17-7-5-9-30(17)27-22(24-20)29-12-10-28(11-13-29)21(31)16-6-3-4-8-18(16)32-2/h3-9,14H,10-13H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone has a molecular weight of 432.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53318283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).