2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide

C23H26N4O4 — CID 154655803

IUPAC2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2c(OC(C)C)n1
InChIInChI=1S/C23H26N4O4/c1-14(2)31-21-19-24-17(23-11-22(3,12-23)30-13-23)9-27(19)10-18(26-21)25-20(28)15-7-5-6-8-16(15)29-4/h5-10,14H,11-13H2,1-4H3,(H,25,28)
InChIKeyIAKGCDHITSZGPW-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.60
Rot. Bonds6

About 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide

2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 154655803) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID154655803
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2c(OC(C)C)n1
InChIInChI=1S/C23H26N4O4/c1-14(2)31-21-19-24-17(23-11-22(3,12-23)30-13-23)9-27(19)10-18(26-21)25-20(28)15-7-5-6-8-16(15)29-4/h5-10,14H,11-13H2,1-4H3,(H,25,28)
InChIKeyIAKGCDHITSZGPW-UHFFFAOYSA-N
XLogP3.60
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide with MolForge

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Related Compounds

N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 154655192
N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-amine
CID 155010315
N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 167420008
N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 155443959
N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 154655437
N-(5-fluoro-2-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 167420058
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 167143090
3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 154998193
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 155443934
N-[2-(difluoromethoxy)-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155443924
N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164554820
N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 154655808

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide (CID 154655803) is 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide is COc1ccccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2c(OC(C)C)n1.
What is the InChIKey of 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is IAKGCDHITSZGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-14(2)31-21-19-24-17(23-11-22(3,12-23)30-13-23)9-27(19)10-18(26-21)25-20(28)15-7-5-6-8-16(15)29-4/h5-10,14H,11-13H2,1-4H3,(H,25,28).
What are the key properties of 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide?
2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 154655803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).