2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C19H27N5O3S — CID 126928580

IUPAC2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC(C)c1nc(S(=O)(=O)N2CC(Cn3nc4c(cc3=O)CCCC4)C2)cn1C
InChIInChI=1S/C19H27N5O3S/c1-13(2)19-20-17(12-22(19)3)28(26,27)23-9-14(10-23)11-24-18(25)8-15-6-4-5-7-16(15)21-24/h8,12-14H,4-7,9-11H2,1-3H3
InChIKeyRHPMYUJXXZPKLA-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.30
Rot. Bonds5

About 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928580) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928580
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC(C)c1nc(S(=O)(=O)N2CC(Cn3nc4c(cc3=O)CCCC4)C2)cn1C
InChIInChI=1S/C19H27N5O3S/c1-13(2)19-20-17(12-22(19)3)28(26,27)23-9-14(10-23)11-24-18(25)8-15-6-4-5-7-16(15)21-24/h8,12-14H,4-7,9-11H2,1-3H3
InChIKeyRHPMYUJXXZPKLA-UHFFFAOYSA-N
XLogP1.30
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928671
6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
CID 126863917
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928158
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851792
2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928790
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-imidazol-1-ylethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928767
2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928494
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]sulfonyl-1-methyl-2-propan-2-ylimidazole
CID 126901280
2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126857417

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928580) is 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is CC(C)c1nc(S(=O)(=O)N2CC(Cn3nc4c(cc3=O)CCCC4)C2)cn1C.
What is the InChIKey of 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is RHPMYUJXXZPKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-13(2)19-20-17(12-22(19)3)28(26,27)23-9-14(10-23)11-24-18(25)8-15-6-4-5-7-16(15)21-24/h8,12-14H,4-7,9-11H2,1-3H3.
What are the key properties of 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 405.52 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).