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

C16H18FN5O — CID 126924336

IUPAC2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ncc(F)cn1)CCC2
InChIInChI=1S/C16H18FN5O/c17-12-8-18-16(19-9-12)21-6-2-4-13(21)10-22-15(23)7-11-3-1-5-14(11)20-22/h7-9,13H,1-6,10H2
InChIKeyBIEZGZBWLZLYQT-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.33
Rot. Bonds3

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

2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126924336) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126924336
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ncc(F)cn1)CCC2
InChIInChI=1S/C16H18FN5O/c17-12-8-18-16(19-9-12)21-6-2-4-13(21)10-22-15(23)7-11-3-1-5-14(11)20-22/h7-9,13H,1-6,10H2
InChIKeyBIEZGZBWLZLYQT-UHFFFAOYSA-N
XLogP1.33
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126924336) is 2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CCCN1c1ncc(F)cn1)CCC2.
What is the InChIKey of 2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is BIEZGZBWLZLYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-12-8-18-16(19-9-12)21-6-2-4-13(21)10-22-15(23)7-11-3-1-5-14(11)20-22/h7-9,13H,1-6,10H2.
What are the key properties of 2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 315.35 g/mol, XLogP of 1.33, 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-2-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126924336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).