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

C19H21N9O2 — CID 58532825

IUPAC(5-methyl-1,2-oxazol-4-yl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(Nc2nc(N3CCN(C(=O)c4cnoc4C)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C19H21N9O2/c1-12-10-16(24-23-12)21-17-15-4-3-5-28(15)25-19(22-17)27-8-6-26(7-9-27)18(29)14-11-20-30-13(14)2/h3-5,10-11H,6-9H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyIEWFTHFHCPIZLD-UHFFFAOYSA-N
MW407.44 g/mol
LogP1.76
Rot. Bonds4

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

(5-methyl-1,2-oxazol-4-yl)-[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 58532825) has the molecular formula C19H21N9O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-[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(5-methyl-1,2-oxazol-4-yl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
PubChem CID58532825
Molecular FormulaC19H21N9O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(Nc2nc(N3CCN(C(=O)c4cnoc4C)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C19H21N9O2/c1-12-10-16(24-23-12)21-17-15-4-3-5-28(15)25-19(22-17)27-8-6-26(7-9-27)18(29)14-11-20-30-13(14)2/h3-5,10-11H,6-9H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyIEWFTHFHCPIZLD-UHFFFAOYSA-N
XLogP1.76
TPSA120.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (5-methyl-1,2-oxazol-4-yl)-[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 (5-methyl-1,2-oxazol-4-yl)-[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 (5-methyl-1,2-oxazol-4-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 58532825) is (5-methyl-1,2-oxazol-4-yl)-[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 (5-methyl-1,2-oxazol-4-yl)-[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 (5-methyl-1,2-oxazol-4-yl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone is Cc1cc(Nc2nc(N3CCN(C(=O)c4cnoc4C)CC3)nn3cccc23)n[nH]1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-[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 IEWFTHFHCPIZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O2/c1-12-10-16(24-23-12)21-17-15-4-3-5-28(15)25-19(22-17)27-8-6-26(7-9-27)18(29)14-11-20-30-13(14)2/h3-5,10-11H,6-9H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone?
(5-methyl-1,2-oxazol-4-yl)-[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 407.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-4-yl)-[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 58532825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).