(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane

C19H27N5 — CID 155551958

IUPAC(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCc1cccc(CN2C[C@@H]3CC[C@H]2CN(Cc2nc[nH]c2C)C3)n1
InChIInChI=1S/C19H27N5/c1-14-4-3-5-17(22-14)10-24-9-16-6-7-18(24)11-23(8-16)12-19-15(2)20-13-21-19/h3-5,13,16,18H,6-12H2,1-2H3,(H,20,21)/t16-,18+/m1/s1
InChIKeyBPPREEKYCXEARJ-AEFFLSMTSA-N
MW325.46 g/mol
LogP2.52
Rot. Bonds4

About (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane

(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 155551958) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
PubChem CID155551958
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCc1cccc(CN2C[C@@H]3CC[C@H]2CN(Cc2nc[nH]c2C)C3)n1
InChIInChI=1S/C19H27N5/c1-14-4-3-5-17(22-14)10-24-9-16-6-7-18(24)11-23(8-16)12-19-15(2)20-13-21-19/h3-5,13,16,18H,6-12H2,1-2H3,(H,20,21)/t16-,18+/m1/s1
InChIKeyBPPREEKYCXEARJ-AEFFLSMTSA-N
XLogP2.52
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane with MolForge

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Related Compounds

(1S,5R)-3-benzyl-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72866424
(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(4-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133119832
4-[[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2,1,3-benzoxadiazole
CID 133123309
3-[5-[[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 72907853
(1S,5R)-6-[(2,3-difluoro-6-methoxyphenyl)methyl]-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72863275
3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 172873867
4-[2,2-dimethyl-3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]propyl]morpholine
CID 72919019
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
[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinolin-6-ylmethanone
CID 133125355
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
[6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine
CID 106906279
(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

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane (CID 155551958) is (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane is Cc1cccc(CN2C[C@@H]3CC[C@H]2CN(Cc2nc[nH]c2C)C3)n1.
What is the InChIKey of (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is BPPREEKYCXEARJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H27N5/c1-14-4-3-5-17(22-14)10-24-9-16-6-7-18(24)11-23(8-16)12-19-15(2)20-13-21-19/h3-5,13,16,18H,6-12H2,1-2H3,(H,20,21)/t16-,18+/m1/s1.
What are the key properties of (1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane?
(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 325.46 g/mol, XLogP of 2.52, 4 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]-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 155551958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).