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

C18H23N5O3 — CID 126928494

IUPAC2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCOc1nn(C)cc1C(=O)N1CC(Cn2nc3c(cc2=O)CCCC3)C1
InChIInChI=1S/C18H23N5O3/c1-21-11-14(17(20-21)26-2)18(25)22-8-12(9-22)10-23-16(24)7-13-5-3-4-6-15(13)19-23/h7,11-12H,3-6,8-10H2,1-2H3
InChIKeyYHNWECMZFQCAPM-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.64
Rot. Bonds4

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

2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928494) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928494
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCOc1nn(C)cc1C(=O)N1CC(Cn2nc3c(cc2=O)CCCC3)C1
InChIInChI=1S/C18H23N5O3/c1-21-11-14(17(20-21)26-2)18(25)22-8-12(9-22)10-23-16(24)7-13-5-3-4-6-15(13)19-23/h7,11-12H,3-6,8-10H2,1-2H3
InChIKeyYHNWECMZFQCAPM-UHFFFAOYSA-N
XLogP0.64
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928146
N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide
CID 126928517
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928099
(3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone
CID 126911164
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
3-methyl-5-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126862744
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862666
2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864664
2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928790
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928656

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928494) is 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is COc1nn(C)cc1C(=O)N1CC(Cn2nc3c(cc2=O)CCCC3)C1.
What is the InChIKey of 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is YHNWECMZFQCAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-21-11-14(17(20-21)26-2)18(25)22-8-12(9-22)10-23-16(24)7-13-5-3-4-6-15(13)19-23/h7,11-12H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 357.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).