2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

C17H14F2N6O2 — CID 176648400

IUPAC2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(CF)c2nc(C3CC3)ccc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C17H14F2N6O2/c18-5-13-15-11(3-4-12(22-15)9-1-2-9)16(27)25(24-13)8-14(26)23-17-20-6-10(19)7-21-17/h3-4,6-7,9H,1-2,5,8H2,(H,20,21,23,26)
InChIKeyHYISMJXHVDPCEK-UHFFFAOYSA-N
MW372.34 g/mol
LogP1.71
Rot. Bonds5

About 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 176648400) has the molecular formula C17H14F2N6O2 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID176648400
Molecular FormulaC17H14F2N6O2
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC Name2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(CF)c2nc(C3CC3)ccc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C17H14F2N6O2/c18-5-13-15-11(3-4-12(22-15)9-1-2-9)16(27)25(24-13)8-14(26)23-17-20-6-10(19)7-21-17/h3-4,6-7,9H,1-2,5,8H2,(H,20,21,23,26)
InChIKeyHYISMJXHVDPCEK-UHFFFAOYSA-N
XLogP1.71
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-cyclopropyl-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 172632646
2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide
CID 168980033
2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 162732024
2-[6-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 162731842
2-[6-bromo-5-fluoro-1-oxo-4-(phosphanylmethyl)phthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170369679
2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid
CID 166454633
2-[6-bromo-4-[(1S,2S)-2-fluorocyclopropyl]-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170368738
2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane
CID 168980034
2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-phosphanylpyrimidin-2-yl)acetamide
CID 170369657
2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide
CID 168980097
2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 169151528
N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide
CID 168980094

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (CID 176648400) is 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is O=C(Cn1nc(CF)c2nc(C3CC3)ccc2c1=O)Nc1ncc(F)cn1.
What is the InChIKey of 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is HYISMJXHVDPCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6O2/c18-5-13-15-11(3-4-12(22-15)9-1-2-9)16(27)25(24-13)8-14(26)23-17-20-6-10(19)7-21-17/h3-4,6-7,9H,1-2,5,8H2,(H,20,21,23,26).
What are the key properties of 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 372.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 176648400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).