2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C18H25N5O2 — CID 126864020

IUPAC2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3cnn4c3COCC4)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-14-2-3-18(24)23(20-14)11-15-4-6-21(7-5-15)12-16-10-19-22-8-9-25-13-17(16)22/h2-3,10,15H,4-9,11-13H2,1H3
InChIKeyXJYYRQQABPPAHQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.19
Rot. Bonds4

About 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864020) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864020
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3cnn4c3COCC4)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-14-2-3-18(24)23(20-14)11-15-4-6-21(7-5-15)12-16-10-19-22-8-9-25-13-17(16)22/h2-3,10,15H,4-9,11-13H2,1H3
InChIKeyXJYYRQQABPPAHQ-UHFFFAOYSA-N
XLogP1.19
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864438
6-cyclopropyl-2-[[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865336
4-[2-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126864129
6-methyl-2-[[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864063
2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864046
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928275
2-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864090
6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864091
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926184
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864051
N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887693

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864020) is 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(Cc3cnn4c3COCC4)CC2)n1.
What is the InChIKey of 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is XJYYRQQABPPAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-2-3-18(24)23(20-14)11-15-4-6-21(7-5-15)12-16-10-19-22-8-9-25-13-17(16)22/h2-3,10,15H,4-9,11-13H2,1H3.
What are the key properties of 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 343.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).