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

C18H25N5O — CID 126928790

IUPAC2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1cnn(CCN2CC(Cn3nc4c(cc3=O)CCCC4)C2)c1
InChIInChI=1S/C18H25N5O/c1-14-9-19-22(10-14)7-6-21-11-15(12-21)13-23-18(24)8-16-4-2-3-5-17(16)20-23/h8-10,15H,2-7,11-13H2,1H3
InChIKeyGTFYRPFAOXVSNG-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.26
Rot. Bonds5

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

2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928790) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928790
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1cnn(CCN2CC(Cn3nc4c(cc3=O)CCCC4)C2)c1
InChIInChI=1S/C18H25N5O/c1-14-9-19-22(10-14)7-6-21-11-15(12-21)13-23-18(24)8-16-4-2-3-5-17(16)20-23/h8-10,15H,2-7,11-13H2,1H3
InChIKeyGTFYRPFAOXVSNG-UHFFFAOYSA-N
XLogP1.26
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-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-(2-imidazol-1-ylethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928767
6-tert-butyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927932
2-[[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928268
2-[(1-benzylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928895
2-[[1-(oxolan-2-ylmethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928830
2-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862870
2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925517
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928373
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928620
2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862947
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862913

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928790) is 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1cnn(CCN2CC(Cn3nc4c(cc3=O)CCCC4)C2)c1.
What is the InChIKey of 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is GTFYRPFAOXVSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-9-19-22(10-14)7-6-21-11-15(12-21)13-23-18(24)8-16-4-2-3-5-17(16)20-23/h8-10,15H,2-7,11-13H2,1H3.
What are the key properties of 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 327.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).