6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine

C23H17F2N7O2S — CID 177238001

IUPAC6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine
SMILESCOc1cnc(C)cc1-c1cc(C)ncc1-c1nc2ncc(-c3cnc(OC(F)F)cn3)nc2s1
InChIInChI=1S/C23H17F2N7O2S/c1-11-4-13(14-5-12(2)27-9-18(14)33-3)15(6-26-11)21-32-20-22(35-21)31-17(8-30-20)16-7-29-19(10-28-16)34-23(24)25/h4-10,23H,1-3H3
InChIKeyBNDKILBCXOQYLQ-UHFFFAOYSA-N
MW493.50 g/mol
LogP4.89
Rot. Bonds6

About 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine

6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine (PubChem CID 177238001) has the molecular formula C23H17F2N7O2S and a molecular weight of 493.50 g/mol. Its IUPAC name is 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine
PubChem CID177238001
Molecular FormulaC23H17F2N7O2S
Molecular Weight493.50 g/mol
Exact Mass493.11
IUPAC Name6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine
SMILESCOc1cnc(C)cc1-c1cc(C)ncc1-c1nc2ncc(-c3cnc(OC(F)F)cn3)nc2s1
InChIInChI=1S/C23H17F2N7O2S/c1-11-4-13(14-5-12(2)27-9-18(14)33-3)15(6-26-11)21-32-20-22(35-21)31-17(8-30-20)16-7-29-19(10-28-16)34-23(24)25/h4-10,23H,1-3H3
InChIKeyBNDKILBCXOQYLQ-UHFFFAOYSA-N
XLogP4.89
TPSA108.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine?
The IUPAC name of 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine (CID 177238001) is 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine.
What is the SMILES notation for 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine?
The canonical SMILES for 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine is COc1cnc(C)cc1-c1cc(C)ncc1-c1nc2ncc(-c3cnc(OC(F)F)cn3)nc2s1.
What is the InChIKey of 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine?
The InChIKey is BNDKILBCXOQYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N7O2S/c1-11-4-13(14-5-12(2)27-9-18(14)33-3)15(6-26-11)21-32-20-22(35-21)31-17(8-30-20)16-7-29-19(10-28-16)34-23(24)25/h4-10,23H,1-3H3.
What are the key properties of 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine?
6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine has a molecular weight of 493.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethoxy)pyrazin-2-yl]-2-[4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine is sourced from PubChem (CID 177238001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).