(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone

C25H26N4O — CID 166114731

IUPAC(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone
SMILESCc1cncc(C(=O)N2CC3CCC(C2)N3C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H26N4O/c1-18-14-26-15-23(27-18)25(30)28-16-21-12-13-22(17-28)29(21)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-15,21-22,24H,12-13,16-17H2,1H3
InChIKeyVBIBURQVOABNAJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.86
Rot. Bonds4

About (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone

(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone (PubChem CID 166114731) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone
PubChem CID166114731
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone
SMILESCc1cncc(C(=O)N2CC3CCC(C2)N3C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H26N4O/c1-18-14-26-15-23(27-18)25(30)28-16-21-12-13-22(17-28)29(21)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-15,21-22,24H,12-13,16-17H2,1H3
InChIKeyVBIBURQVOABNAJ-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone with MolForge

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Related Compounds

(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone
CID 166114835
N-benzhydryl-6-methylpyrazine-2-carboxamide
CID 146075272
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 72882881
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
(6-methyl-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 127380279
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95845578
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
[4-(4-benzhydryl-3-methylpiperazin-1-yl)piperidin-1-yl]-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 21336297
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820453
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 121153523

Frequently Asked Questions

What is the IUPAC name of (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone?
The IUPAC name of (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone (CID 166114731) is (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone?
The canonical SMILES for (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone is Cc1cncc(C(=O)N2CC3CCC(C2)N3C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone?
The InChIKey is VBIBURQVOABNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-14-26-15-23(27-18)25(30)28-16-21-12-13-22(17-28)29(21)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-15,21-22,24H,12-13,16-17H2,1H3.
What are the key properties of (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone?
(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone has a molecular weight of 398.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(6-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 166114731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).