2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C19H25FN6O2 — CID 126938393

IUPAC2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCCCC1CNc1ncc(F)cn1)CCOC2
InChIInChI=1S/C19H25FN6O2/c20-15-10-21-19(22-11-15)23-12-16-3-1-2-5-25(16)6-7-26-18(27)9-14-13-28-8-4-17(14)24-26/h9-11,16H,1-8,12-13H2,(H,21,22,23)
InChIKeyYSDGFCNKXIXWFY-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.21
Rot. Bonds6

About 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126938393) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126938393
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCCCC1CNc1ncc(F)cn1)CCOC2
InChIInChI=1S/C19H25FN6O2/c20-15-10-21-19(22-11-15)23-12-16-3-1-2-5-25(16)6-7-26-18(27)9-14-13-28-8-4-17(14)24-26/h9-11,16H,1-8,12-13H2,(H,21,22,23)
InChIKeyYSDGFCNKXIXWFY-UHFFFAOYSA-N
XLogP1.21
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126938393) is 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CCN1CCCCC1CNc1ncc(F)cn1)CCOC2.
What is the InChIKey of 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is YSDGFCNKXIXWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c20-15-10-21-19(22-11-15)23-12-16-3-1-2-5-25(16)6-7-26-18(27)9-14-13-28-8-4-17(14)24-26/h9-11,16H,1-8,12-13H2,(H,21,22,23).
What are the key properties of 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 388.45 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126938393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).