2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C18H23N5O2 — CID 126864167

IUPAC2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3ncnc4c3COCC4)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-2-3-17(24)23(21-13)10-14-4-7-22(8-5-14)18-15-11-25-9-6-16(15)19-12-20-18/h2-3,12,14H,4-11H2,1H3
InChIKeyZFHDDSWOQBEPGX-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.33
Rot. Bonds3

About 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864167) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864167
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3ncnc4c3COCC4)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-2-3-17(24)23(21-13)10-14-4-7-22(8-5-14)18-15-11-25-9-6-16(15)19-12-20-18/h2-3,12,14H,4-11H2,1H3
InChIKeyZFHDDSWOQBEPGX-UHFFFAOYSA-N
XLogP1.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864179
6-tert-butyl-2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927984
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247
6-tert-butyl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862576
2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864188
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
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
4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126910333
2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865042
4-[2-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126864129
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126863989

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864167) is 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(c3ncnc4c3COCC4)CC2)n1.
What is the InChIKey of 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is ZFHDDSWOQBEPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-2-3-17(24)23(21-13)10-14-4-7-22(8-5-14)18-15-11-25-9-6-16(15)19-12-20-18/h2-3,12,14H,4-11H2,1H3.
What are the key properties of 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 341.42 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).