2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

C17H20FN7O2 — CID 168979822

IUPAC2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncc(F)cn2)c(=O)c(/C=N/C2CC2)c1N
InChIInChI=1S/C17H20FN7O2/c1-9(2)15-14(19)12(7-20-11-3-4-11)16(27)25(24-15)8-13(26)23-17-21-5-10(18)6-22-17/h5-7,9,11H,3-4,8,19H2,1-2H3,(H,21,22,23,26)/b20-7+
InChIKeyKZBIFAYWODBBTL-IFRROFPPSA-N
MW373.39 g/mol
LogP1.10
Rot. Bonds6

About 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 168979822) has the molecular formula C17H20FN7O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID168979822
Molecular FormulaC17H20FN7O2
Molecular Weight373.39 g/mol
Exact Mass373.17
IUPAC Name2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncc(F)cn2)c(=O)c(/C=N/C2CC2)c1N
InChIInChI=1S/C17H20FN7O2/c1-9(2)15-14(19)12(7-20-11-3-4-11)16(27)25(24-15)8-13(26)23-17-21-5-10(18)6-22-17/h5-7,9,11H,3-4,8,19H2,1-2H3,(H,21,22,23,26)/b20-7+
InChIKeyKZBIFAYWODBBTL-IFRROFPPSA-N
XLogP1.10
TPSA128.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (CID 168979822) is 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is CC(C)c1nn(CC(=O)Nc2ncc(F)cn2)c(=O)c(/C=N/C2CC2)c1N.
What is the InChIKey of 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is KZBIFAYWODBBTL-IFRROFPPSA-N. The full InChI is InChI=1S/C17H20FN7O2/c1-9(2)15-14(19)12(7-20-11-3-4-11)16(27)25(24-15)8-13(26)23-17-21-5-10(18)6-22-17/h5-7,9,11H,3-4,8,19H2,1-2H3,(H,21,22,23,26)/b20-7+.
What are the key properties of 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 373.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 168979822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).