N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide

C26H18FN7O2S — CID 168984784

IUPACN-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3F)nc2s1
InChIInChI=1S/C26H18FN7O2S/c1-13-6-17(18-7-14(2)30-12-22(18)36-3)19(10-29-13)24(35)34-26-33-23-25(37-26)32-21(11-31-23)16-5-4-15(9-28)8-20(16)27/h4-8,10-12H,1-3H3,(H,31,33,34,35)
InChIKeyMVYRFWCAOGHMFZ-UHFFFAOYSA-N
MW511.54 g/mol
LogP5.10
Rot. Bonds5

About N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide

N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 168984784) has the molecular formula C26H18FN7O2S and a molecular weight of 511.54 g/mol. Its IUPAC name is N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
PubChem CID168984784
Molecular FormulaC26H18FN7O2S
Molecular Weight511.54 g/mol
Exact Mass511.12
IUPAC NameN-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3F)nc2s1
InChIInChI=1S/C26H18FN7O2S/c1-13-6-17(18-7-14(2)30-12-22(18)36-3)19(10-29-13)24(35)34-26-33-23-25(37-26)32-21(11-31-23)16-5-4-15(9-28)8-20(16)27/h4-8,10-12H,1-3H3,(H,31,33,34,35)
InChIKeyMVYRFWCAOGHMFZ-UHFFFAOYSA-N
XLogP5.10
TPSA126.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide (CID 168984784) is N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide is COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3F)nc2s1.
What is the InChIKey of N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The InChIKey is MVYRFWCAOGHMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN7O2S/c1-13-6-17(18-7-14(2)30-12-22(18)36-3)19(10-29-13)24(35)34-26-33-23-25(37-26)32-21(11-31-23)16-5-4-15(9-28)8-20(16)27/h4-8,10-12H,1-3H3,(H,31,33,34,35).
What are the key properties of N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?
N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 511.54 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyano-2-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168984784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).