5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol

C23H25N5O2 — CID 162649837

IUPAC5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2c(C(C)C)nc3cnc(-c4ccnc(N(C)C)c4)cn23)cc1O
InChIInChI=1S/C23H25N5O2/c1-14(2)22-23(16-6-7-19(30-5)18(29)10-16)28-13-17(25-12-21(28)26-22)15-8-9-24-20(11-15)27(3)4/h6-14,29H,1-5H3
InChIKeyMLTCUVNEFPXUAA-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.36
Rot. Bonds5

About 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol

5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol (PubChem CID 162649837) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
PubChem CID162649837
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2c(C(C)C)nc3cnc(-c4ccnc(N(C)C)c4)cn23)cc1O
InChIInChI=1S/C23H25N5O2/c1-14(2)22-23(16-6-7-19(30-5)18(29)10-16)28-13-17(25-12-21(28)26-22)15-8-9-24-20(11-15)27(3)4/h6-14,29H,1-5H3
InChIKeyMLTCUVNEFPXUAA-UHFFFAOYSA-N
XLogP4.36
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol?
The IUPAC name of 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol (CID 162649837) is 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol?
The canonical SMILES for 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol is COc1ccc(-c2c(C(C)C)nc3cnc(-c4ccnc(N(C)C)c4)cn23)cc1O.
What is the InChIKey of 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol?
The InChIKey is MLTCUVNEFPXUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14(2)22-23(16-6-7-19(30-5)18(29)10-16)28-13-17(25-12-21(28)26-22)15-8-9-24-20(11-15)27(3)4/h6-14,29H,1-5H3.
What are the key properties of 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol?
5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol has a molecular weight of 403.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(dimethylamino)-4-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol is sourced from PubChem (CID 162649837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).