[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone

C22H25N5O — CID 133125355

IUPAC[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone
SMILESCc1[nH]cnc1CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C22H25N5O/c1-15-21(25-14-24-15)13-26-10-16-4-6-19(12-26)27(11-16)22(28)18-5-7-20-17(9-18)3-2-8-23-20/h2-3,5,7-9,14,16,19H,4,6,10-13H2,1H3,(H,24,25)/t16-,19+/m1/s1
InChIKeyAMWFIZPZGUCOMY-APWZRJJASA-N
MW375.48 g/mol
LogP3.00
Rot. Bonds3

About [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone

[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone (PubChem CID 133125355) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone
PubChem CID133125355
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone
SMILESCc1[nH]cnc1CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C22H25N5O/c1-15-21(25-14-24-15)13-26-10-16-4-6-19(12-26)27(11-16)22(28)18-5-7-20-17(9-18)3-2-8-23-20/h2-3,5,7-9,14,16,19H,4,6,10-13H2,1H3,(H,24,25)/t16-,19+/m1/s1
InChIKeyAMWFIZPZGUCOMY-APWZRJJASA-N
XLogP3.00
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone 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

2H-benzotriazol-5-yl-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70747511
3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]-1H-pyridin-2-one
CID 72896556
(2-hydroxy-4-methylphenyl)-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70753048
(1-ethyl-5-methylpyrazol-3-yl)-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72854618
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133130303
1-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 70724050
4,4,4-trifluoro-1-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]butan-1-one
CID 72864928
1-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 72867908
2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 133117869
[3-(dimethylamino)phenyl]-[(1S,5R)-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70704869
[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone
CID 133113342
1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 72912470

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone (CID 133125355) is [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone is Cc1[nH]cnc1CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3ncccc3c1)C2.
What is the InChIKey of [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone?
The InChIKey is AMWFIZPZGUCOMY-APWZRJJASA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-21(25-14-24-15)13-26-10-16-4-6-19(12-26)27(11-16)22(28)18-5-7-20-17(9-18)3-2-8-23-20/h2-3,5,7-9,14,16,19H,4,6,10-13H2,1H3,(H,24,25)/t16-,19+/m1/s1.
What are the key properties of [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone?
[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone has a molecular weight of 375.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 133125355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).