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

C20H17FN4O — CID 153464280

IUPAC(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine
SMILESCc1ccc2c(oc3cc(F)ccc32)c1N1c2nccnc2N(C)[C@@H]1C
InChIInChI=1S/C20H17FN4O/c1-11-4-6-15-14-7-5-13(21)10-16(14)26-18(15)17(11)25-12(2)24(3)19-20(25)23-9-8-22-19/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyZPFYWXJYEHGHMQ-LBPRGKRZSA-N
MW348.38 g/mol
LogP4.76
Rot. Bonds1

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

(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine (PubChem CID 153464280) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine
PubChem CID153464280
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine
SMILESCc1ccc2c(oc3cc(F)ccc32)c1N1c2nccnc2N(C)[C@@H]1C
InChIInChI=1S/C20H17FN4O/c1-11-4-6-15-14-7-5-13(21)10-16(14)26-18(15)17(11)25-12(2)24(3)19-20(25)23-9-8-22-19/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyZPFYWXJYEHGHMQ-LBPRGKRZSA-N
XLogP4.76
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.76
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)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine (CID 153464280) is (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine is Cc1ccc2c(oc3cc(F)ccc32)c1N1c2nccnc2N(C)[C@@H]1C.
What is the InChIKey of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine?
The InChIKey is ZPFYWXJYEHGHMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-11-4-6-15-14-7-5-13(21)10-16(14)26-18(15)17(11)25-12(2)24(3)19-20(25)23-9-8-22-19/h4-10,12H,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine?
(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine has a molecular weight of 348.38 g/mol, XLogP of 4.76, 1 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)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 153464280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).