(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine

C25H19FN4O — CID 153464291

IUPAC(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine
SMILESCc1ccc2c(oc3cc(F)ccc32)c1N1c2nccnc2N(c2ccccc2)[C@@H]1C
InChIInChI=1S/C25H19FN4O/c1-15-8-10-20-19-11-9-17(26)14-21(19)31-23(20)22(15)30-16(2)29(18-6-4-3-5-7-18)24-25(30)28-13-12-27-24/h3-14,16H,1-2H3/t16-/m0/s1
InChIKeyPFYTYIFCNMKFDO-INIZCTEOSA-N
MW410.45 g/mol
LogP6.46
Rot. Bonds2

About (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine

(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine (PubChem CID 153464291) has the molecular formula C25H19FN4O and a molecular weight of 410.45 g/mol. Its IUPAC name is (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine
PubChem CID153464291
Molecular FormulaC25H19FN4O
Molecular Weight410.45 g/mol
Exact Mass410.15
IUPAC Name(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine
SMILESCc1ccc2c(oc3cc(F)ccc32)c1N1c2nccnc2N(c2ccccc2)[C@@H]1C
InChIInChI=1S/C25H19FN4O/c1-15-8-10-20-19-11-9-17(26)14-21(19)31-23(20)22(15)30-16(2)29(18-6-4-3-5-7-18)24-25(30)28-13-12-27-24/h3-14,16H,1-2H3/t16-/m0/s1
InChIKeyPFYTYIFCNMKFDO-INIZCTEOSA-N
XLogP6.46
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine (CID 153464291) is (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine is Cc1ccc2c(oc3cc(F)ccc32)c1N1c2nccnc2N(c2ccccc2)[C@@H]1C.
What is the InChIKey of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine?
The InChIKey is PFYTYIFCNMKFDO-INIZCTEOSA-N. The full InChI is InChI=1S/C25H19FN4O/c1-15-8-10-20-19-11-9-17(26)14-21(19)31-23(20)22(15)30-16(2)29(18-6-4-3-5-7-18)24-25(30)28-13-12-27-24/h3-14,16H,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine?
(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine has a molecular weight of 410.45 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 153464291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).