5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one

C19H16FN7O2 — CID 58494326

IUPAC5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2nc(C3(c4ccc(F)cc4)CNC(=O)O3)nn3cccc23)n[nH]1
InChIInChI=1S/C19H16FN7O2/c1-11-9-15(25-24-11)22-16-14-3-2-8-27(14)26-17(23-16)19(10-21-18(28)29-19)12-4-6-13(20)7-5-12/h2-9H,10H2,1H3,(H,21,28)(H2,22,23,24,25,26)
InChIKeyOQUMDAWEPKEPRX-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.63
Rot. Bonds4

About 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one

5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 58494326) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID58494326
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2nc(C3(c4ccc(F)cc4)CNC(=O)O3)nn3cccc23)n[nH]1
InChIInChI=1S/C19H16FN7O2/c1-11-9-15(25-24-11)22-16-14-3-2-8-27(14)26-17(23-16)19(10-21-18(28)29-19)12-4-6-13(20)7-5-12/h2-9H,10H2,1H3,(H,21,28)(H2,22,23,24,25,26)
InChIKeyOQUMDAWEPKEPRX-UHFFFAOYSA-N
XLogP2.63
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one (CID 58494326) is 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one is Cc1cc(Nc2nc(C3(c4ccc(F)cc4)CNC(=O)O3)nn3cccc23)n[nH]1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is OQUMDAWEPKEPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O2/c1-11-9-15(25-24-11)22-16-14-3-2-8-27(14)26-17(23-16)19(10-21-18(28)29-19)12-4-6-13(20)7-5-12/h2-9H,10H2,1H3,(H,21,28)(H2,22,23,24,25,26).
What are the key properties of 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 393.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58494326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).