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

C18H22FN7O2 — CID 170077984

IUPAC2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)c(/C=N/CC2CC2)c1N
InChIInChI=1S/C18H22FN7O2/c1-10(2)16-15(20)12(6-21-5-11-3-4-11)18(28)26(25-16)8-14(27)24-17-13(19)7-22-9-23-17/h6-7,9-11H,3-5,8,20H2,1-2H3,(H,22,23,24,27)/b21-6+
InChIKeySHSVTIKJZGFSHZ-AERZKKPOSA-N
MW387.42 g/mol
LogP1.35
Rot. Bonds7

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

2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide (PubChem CID 170077984) has the molecular formula C18H22FN7O2 and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
PubChem CID170077984
Molecular FormulaC18H22FN7O2
Molecular Weight387.42 g/mol
Exact Mass387.18
IUPAC Name2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)c(/C=N/CC2CC2)c1N
InChIInChI=1S/C18H22FN7O2/c1-10(2)16-15(20)12(6-21-5-11-3-4-11)18(28)26(25-16)8-14(27)24-17-13(19)7-22-9-23-17/h6-7,9-11H,3-5,8,20H2,1-2H3,(H,22,23,24,27)/b21-6+
InChIKeySHSVTIKJZGFSHZ-AERZKKPOSA-N
XLogP1.35
TPSA128.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide?
The IUPAC name of 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide (CID 170077984) is 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide?
The canonical SMILES for 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide is CC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)c(/C=N/CC2CC2)c1N.
What is the InChIKey of 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide?
The InChIKey is SHSVTIKJZGFSHZ-AERZKKPOSA-N. The full InChI is InChI=1S/C18H22FN7O2/c1-10(2)16-15(20)12(6-21-5-11-3-4-11)18(28)26(25-16)8-14(27)24-17-13(19)7-22-9-23-17/h6-7,9-11H,3-5,8,20H2,1-2H3,(H,22,23,24,27)/b21-6+.
What are the key properties of 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide?
2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide has a molecular weight of 387.42 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide is sourced from PubChem (CID 170077984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).