4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

C26H26N6O3S — CID 71115726

IUPAC4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1nc(-c2ccc(C3(C(=O)Nc4ccc(-c5csc(C)n5)cn4)CCOCC3)cc2)cnc1N
InChIInChI=1S/C26H26N6O3S/c1-16-30-21(15-36-16)18-5-8-22(28-13-18)32-25(33)26(9-11-35-12-10-26)19-6-3-17(4-7-19)20-14-29-23(27)24(31-20)34-2/h3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H,28,32,33)
InChIKeyUIQJDCRHNMRPJS-UHFFFAOYSA-N
MW502.60 g/mol
LogP4.25
Rot. Bonds6

About 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 71115726) has the molecular formula C26H26N6O3S and a molecular weight of 502.60 g/mol. Its IUPAC name is 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID71115726
Molecular FormulaC26H26N6O3S
Molecular Weight502.60 g/mol
Exact Mass502.18
IUPAC Name4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1nc(-c2ccc(C3(C(=O)Nc4ccc(-c5csc(C)n5)cn4)CCOCC3)cc2)cnc1N
InChIInChI=1S/C26H26N6O3S/c1-16-30-21(15-36-16)18-5-8-22(28-13-18)32-25(33)26(9-11-35-12-10-26)19-6-3-17(4-7-19)20-14-29-23(27)24(31-20)34-2/h3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H,28,32,33)
InChIKeyUIQJDCRHNMRPJS-UHFFFAOYSA-N
XLogP4.25
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-cyano-6-methyl-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-ylcyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]oxane-4-carboxamide
CID 158175644
4-phenyl-N-(4-(pyridin-3-yl)thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 45504113
4-phenyl-N-(4-(pyridin-2-yl)thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 56762733
N-(2-aminophenyl)-4-(4-(4-(6-(4-cyclopropylpiperazin-1-yl)pyridin-3-yl)thiazol-2-yl)tetrahydropyran-4-yl)benzamide
CID 44623633
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 57405368
N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 57405537
4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 57405538
4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 57405705
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 57406230
4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 57406406
4-[4-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 57406764
2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide
CID 57407148

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (CID 71115726) is 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is COc1nc(-c2ccc(C3(C(=O)Nc4ccc(-c5csc(C)n5)cn4)CCOCC3)cc2)cnc1N.
What is the InChIKey of 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is UIQJDCRHNMRPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S/c1-16-30-21(15-36-16)18-5-8-22(28-13-18)32-25(33)26(9-11-35-12-10-26)19-6-3-17(4-7-19)20-14-29-23(27)24(31-20)34-2/h3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H,28,32,33).
What are the key properties of 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 502.60 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-amino-6-methoxypyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 71115726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).