3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C30H48N6O2 — CID 158374679

IUPAC3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESC.COc1ccc(N2C3CC2CN(C(C)(C)C)C3)cn1.COc1ccc(N2CC3CC2CN3C(C)C)cn1
InChIInChI=1S/C15H23N3O.C14H21N3O.CH4/c1-15(2,3)17-9-12-7-13(10-17)18(12)11-5-6-14(19-4)16-8-11;1-10(2)16-8-13-6-12(16)9-17(13)11-4-5-14(18-3)15-7-11;/h5-6,8,12-13H,7,9-10H2,1-4H3;4-5,7,10,12-13H,6,8-9H2,1-3H3;1H4
InChIKeyGVAUSXAIDDVZCO-UHFFFAOYSA-N
MW524.75 g/mol
LogP4.55
Rot. Bonds5

About 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 158374679) has the molecular formula C30H48N6O2 and a molecular weight of 524.75 g/mol. Its IUPAC name is 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID158374679
Molecular FormulaC30H48N6O2
Molecular Weight524.75 g/mol
Exact Mass524.38
IUPAC Name3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESC.COc1ccc(N2C3CC2CN(C(C)(C)C)C3)cn1.COc1ccc(N2CC3CC2CN3C(C)C)cn1
InChIInChI=1S/C15H23N3O.C14H21N3O.CH4/c1-15(2,3)17-9-12-7-13(10-17)18(12)11-5-6-14(19-4)16-8-11;1-10(2)16-8-13-6-12(16)9-17(13)11-4-5-14(18-3)15-7-11;/h5-6,8,12-13H,7,9-10H2,1-4H3;4-5,7,10,12-13H,6,8-9H2,1-3H3;1H4
InChIKeyGVAUSXAIDDVZCO-UHFFFAOYSA-N
XLogP4.55
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.75
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane 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

3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane
CID 134510590
9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712348
2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 176692456
9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712505
6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 134506691
N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712529
1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine
CID 142367845
2-methoxy-5-pyrrol-1-ylpyridine
CID 4763719
5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine
CID 59588874
1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
CID 58380617
3-tert-butyl-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 134506610
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 158374679) is 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is C.COc1ccc(N2C3CC2CN(C(C)(C)C)C3)cn1.COc1ccc(N2CC3CC2CN3C(C)C)cn1.
What is the InChIKey of 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is GVAUSXAIDDVZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.C14H21N3O.CH4/c1-15(2,3)17-9-12-7-13(10-17)18(12)11-5-6-14(19-4)16-8-11;1-10(2)16-8-13-6-12(16)9-17(13)11-4-5-14(18-3)15-7-11;/h5-6,8,12-13H,7,9-10H2,1-4H3;4-5,7,10,12-13H,6,8-9H2,1-3H3;1H4.
What are the key properties of 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 524.75 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 158374679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).