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

C21H24N6O2 — CID 126926184

IUPAC2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1Cc1cnn2c1COCC2
InChIInChI=1S/C21H24N6O2/c28-21-4-3-19(16-5-7-22-8-6-16)24-27(21)14-18-2-1-9-25(18)13-17-12-23-26-10-11-29-15-20(17)26/h3-8,12,18H,1-2,9-11,13-15H2
InChIKeyXZXGUOVCESKDDM-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.70
Rot. Bonds5

About 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

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 (PubChem CID 126926184) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126926184
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1Cc1cnn2c1COCC2
InChIInChI=1S/C21H24N6O2/c28-21-4-3-19(16-5-7-22-8-6-16)24-27(21)14-18-2-1-9-25(18)13-17-12-23-26-10-11-29-15-20(17)26/h3-8,12,18H,1-2,9-11,13-15H2
InChIKeyXZXGUOVCESKDDM-UHFFFAOYSA-N
XLogP1.70
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926185
2-[[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926192
2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926225
4-[[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 126926126
6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926229
2-[[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925810
2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923237
2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926238
2-[[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926223
6-pyridin-4-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926251
6-pyridin-4-yl-2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926091
6-pyridin-4-yl-2-[[1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926226

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1ccc(-c2ccncc2)nn1CC1CCCN1Cc1cnn2c1COCC2.
What is the InChIKey of 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?
The InChIKey is XZXGUOVCESKDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-21-4-3-19(16-5-7-22-8-6-16)24-27(21)14-18-2-1-9-25(18)13-17-12-23-26-10-11-29-15-20(17)26/h3-8,12,18H,1-2,9-11,13-15H2.
What are the key properties of 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?
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 has a molecular weight of 392.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126926184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).