2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide

C16H15ClFN5O2 — CID 156890285

IUPAC2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccncc2F)c(=O)c2cc(Cl)cn12
InChIInChI=1S/C16H15ClFN5O2/c1-9(2)15-21-23(16(25)13-5-10(17)7-22(13)15)8-14(24)20-12-3-4-19-6-11(12)18/h3-7,9H,8H2,1-2H3,(H,19,20,24)
InChIKeyLPAVFQFADJBTRE-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.45
Rot. Bonds4

About 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide

2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide (PubChem CID 156890285) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide
PubChem CID156890285
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC Name2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccncc2F)c(=O)c2cc(Cl)cn12
InChIInChI=1S/C16H15ClFN5O2/c1-9(2)15-21-23(16(25)13-5-10(17)7-22(13)15)8-14(24)20-12-3-4-19-6-11(12)18/h3-7,9H,8H2,1-2H3,(H,19,20,24)
InChIKeyLPAVFQFADJBTRE-UHFFFAOYSA-N
XLogP2.45
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide?
The IUPAC name of 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide (CID 156890285) is 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide.
What is the SMILES notation for 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide?
The canonical SMILES for 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide is CC(C)c1nn(CC(=O)Nc2ccncc2F)c(=O)c2cc(Cl)cn12.
What is the InChIKey of 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide?
The InChIKey is LPAVFQFADJBTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-9(2)15-21-23(16(25)13-5-10(17)7-22(13)15)8-14(24)20-12-3-4-19-6-11(12)18/h3-7,9H,8H2,1-2H3,(H,19,20,24).
What are the key properties of 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide?
2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide has a molecular weight of 363.78 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-fluoro-4-pyridinyl)acetamide is sourced from PubChem (CID 156890285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).