2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C20H20N6O — CID 126929722

IUPAC2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C20H20N6O/c27-20-5-4-18(15-6-8-21-9-7-15)24-26(20)13-14-11-25(12-14)19-10-16-2-1-3-17(16)22-23-19/h4-10,14H,1-3,11-13H2
InChIKeyYORVETVONWLHSV-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.72
Rot. Bonds4

About 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126929722) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126929722
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C20H20N6O/c27-20-5-4-18(15-6-8-21-9-7-15)24-26(20)13-14-11-25(12-14)19-10-16-2-1-3-17(16)22-23-19/h4-10,14H,1-3,11-13H2
InChIKeyYORVETVONWLHSV-UHFFFAOYSA-N
XLogP1.72
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942875
6-cyclopropyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927603
2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929861
2-[[1-(4-methyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929900
2-[[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929734
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929915
2-[[1-(azepan-1-ylsulfonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929740
2-[[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928260
2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126929854
2-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929341
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945070

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126929722) is 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is YORVETVONWLHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20-5-4-18(15-6-8-21-9-7-15)24-26(20)13-14-11-25(12-14)19-10-16-2-1-3-17(16)22-23-19/h4-10,14H,1-3,11-13H2.
What are the key properties of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 360.42 g/mol, XLogP of 1.72, 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-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126929722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).