(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine

C27H24N4O — CID 134371464

IUPAC(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine
SMILESCc1cc(C)cc(N2c3nccnc3N(c3c(C)ccc4c3oc3ccccc34)[C@@H]2C)c1
InChIInChI=1S/C27H24N4O/c1-16-13-17(2)15-20(14-16)30-19(4)31(27-26(30)28-11-12-29-27)24-18(3)9-10-22-21-7-5-6-8-23(21)32-25(22)24/h5-15,19H,1-4H3/t19-/m1/s1
InChIKeyYJNZYFNGKHXLBG-LJQANCHMSA-N
MW420.52 g/mol
LogP6.94
Rot. Bonds2

About (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine

(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine (PubChem CID 134371464) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine
PubChem CID134371464
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine
SMILESCc1cc(C)cc(N2c3nccnc3N(c3c(C)ccc4c3oc3ccccc34)[C@@H]2C)c1
InChIInChI=1S/C27H24N4O/c1-16-13-17(2)15-20(14-16)30-19(4)31(27-26(30)28-11-12-29-27)24-18(3)9-10-22-21-7-5-6-8-23(21)32-25(22)24/h5-15,19H,1-4H3/t19-/m1/s1
InChIKeyYJNZYFNGKHXLBG-LJQANCHMSA-N
XLogP6.94
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine (CID 134371464) is (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine is Cc1cc(C)cc(N2c3nccnc3N(c3c(C)ccc4c3oc3ccccc34)[C@@H]2C)c1.
What is the InChIKey of (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine?
The InChIKey is YJNZYFNGKHXLBG-LJQANCHMSA-N. The full InChI is InChI=1S/C27H24N4O/c1-16-13-17(2)15-20(14-16)30-19(4)31(27-26(30)28-11-12-29-27)24-18(3)9-10-22-21-7-5-6-8-23(21)32-25(22)24/h5-15,19H,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine?
(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine has a molecular weight of 420.52 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 134371464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).