2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H25N5O — CID 126928866

IUPAC2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ccnc(C4CCC4)n3)C1)CCCC2
InChIInChI=1S/C20H25N5O/c26-19-10-16-4-1-2-7-17(16)23-25(19)13-14-11-24(12-14)18-8-9-21-20(22-18)15-5-3-6-15/h8-10,14-15H,1-7,11-13H2
InChIKeyFAUJVLDLTVNUQX-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.32
Rot. Bonds4

About 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928866) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928866
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ccnc(C4CCC4)n3)C1)CCCC2
InChIInChI=1S/C20H25N5O/c26-19-10-16-4-1-2-7-17(16)23-25(19)13-14-11-24(12-14)18-8-9-21-20(22-18)15-5-3-6-15/h8-10,14-15H,1-7,11-13H2
InChIKeyFAUJVLDLTVNUQX-UHFFFAOYSA-N
XLogP2.32
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928240
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-[[1-(2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929180
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928656
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928893
2-[[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925558
2-[(1-benzylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928895
2-[[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928260
3-methyl-2-[3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidin-1-yl]quinazolin-4-one
CID 126928906
2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928835

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928866) is 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CC1CN(c3ccnc(C4CCC4)n3)C1)CCCC2.
What is the InChIKey of 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is FAUJVLDLTVNUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-19-10-16-4-1-2-7-17(16)23-25(19)13-14-11-24(12-14)18-8-9-21-20(22-18)15-5-3-6-15/h8-10,14-15H,1-7,11-13H2.
What are the key properties of 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 351.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).