2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C15H16FN5O — CID 126928413

IUPAC2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ncncc3F)C1)CCC2
InChIInChI=1S/C15H16FN5O/c16-12-5-17-9-18-15(12)20-6-10(7-20)8-21-14(22)4-11-2-1-3-13(11)19-21/h4-5,9-10H,1-3,6-8H2
InChIKeyILCQURNXLYZHRY-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.80
Rot. Bonds3

About 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126928413) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126928413
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ncncc3F)C1)CCC2
InChIInChI=1S/C15H16FN5O/c16-12-5-17-9-18-15(12)20-6-10(7-20)8-21-14(22)4-11-2-1-3-13(11)19-21/h4-5,9-10H,1-3,6-8H2
InChIKeyILCQURNXLYZHRY-UHFFFAOYSA-N
XLogP0.80
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928446
2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915113
2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928393
2-[[1-(7H-purin-6-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928181
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
2-[[1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928295
2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865042
2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925562
2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928678
2-[[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928260
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928656

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126928413) is 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CN(c3ncncc3F)C1)CCC2.
What is the InChIKey of 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is ILCQURNXLYZHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c16-12-5-17-9-18-15(12)20-6-10(7-20)8-21-14(22)4-11-2-1-3-13(11)19-21/h4-5,9-10H,1-3,6-8H2.
What are the key properties of 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 301.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126928413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).