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

C91H87F3N22O8S — CID 158175644

IUPAC4-[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
SMILESCOc1nc(-c2ccc(C3(C(=O)Nc4ccc(-c5csc(C)n5)cn4)CCOCC3)cc2)cnc1N.Cc1nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)ccc1C#N.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)nc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccncc4)CCC3)cc2)cn1
InChIInChI=1S/C26H26N6O3S.C23H22N6O2.C22H20F3N5O2.C20H19N5O/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;1-15-17(12-24)4-7-20(28-15)29-21(30)23(8-10-31-11-9-23)19-5-2-16(3-6-19)18-13-26-22(25)27-14-18;23-22(24,25)18-6-5-17(13-27-18)30-19(31)21(7-9-32-10-8-21)16-3-1-14(2-4-16)15-11-28-20(26)29-12-15;21-19-23-12-15(13-24-19)14-2-4-16(5-3-14)20(8-1-9-20)18(26)25-17-6-10-22-11-7-17/h3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H,28,32,33);2-7,13-14H,8-11H2,1H3,(H2,25,26,27)(H,28,29,30);1-6,11-13H,7-10H2,(H,30,31)(H2,26,28,29);2-7,10-13H,1,8-9H2,(H2,21,23,24)(H,22,25,26)
InChIKeyFXYUQBMPQSROIV-UHFFFAOYSA-N
MW1705.90 g/mol
LogP14.24
Rot. Bonds18

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-(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

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 (PubChem CID 158175644) has the molecular formula C91H87F3N22O8S and a molecular weight of 1705.90 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;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.

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;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
PubChem CID158175644
Molecular FormulaC91H87F3N22O8S
Molecular Weight1705.90 g/mol
Exact Mass1704.68
IUPAC Name4-[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
SMILESCOc1nc(-c2ccc(C3(C(=O)Nc4ccc(-c5csc(C)n5)cn4)CCOCC3)cc2)cnc1N.Cc1nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)ccc1C#N.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)nc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccncc4)CCC3)cc2)cn1
InChIInChI=1S/C26H26N6O3S.C23H22N6O2.C22H20F3N5O2.C20H19N5O/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;1-15-17(12-24)4-7-20(28-15)29-21(30)23(8-10-31-11-9-23)19-5-2-16(3-6-19)18-13-26-22(25)27-14-18;23-22(24,25)18-6-5-17(13-27-18)30-19(31)21(7-9-32-10-8-21)16-3-1-14(2-4-16)15-11-28-20(26)29-12-15;21-19-23-12-15(13-24-19)14-2-4-16(5-3-14)20(8-1-9-20)18(26)25-17-6-10-22-11-7-17/h3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H,28,32,33);2-7,13-14H,8-11H2,1H3,(H2,25,26,27)(H,28,29,30);1-6,11-13H,7-10H2,(H,30,31)(H2,26,28,29);2-7,10-13H,1,8-9H2,(H2,21,23,24)(H,22,25,26)
InChIKeyFXYUQBMPQSROIV-UHFFFAOYSA-N
XLogP14.24
TPSA448.76 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001705.90
LogP ≤ 514.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 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 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
CID 71115726
4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(5-amino-6-methylpyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 157877765
1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone
CID 158826594
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 159482284
4-[4-(5-amino-6-methylpyrazin-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-(1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-benzylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 159744430
2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-cyclopentyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]oxane-4-carboxamide
CID 161918040
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 161998573
1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 162116486

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;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?
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;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) is 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.
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;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?
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;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 is COc1nc(-c2ccc(C3(C(=O)Nc4ccc(-c5csc(C)n5)cn4)CCOCC3)cc2)cnc1N.Cc1nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)ccc1C#N.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)nc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccncc4)CCC3)cc2)cn1.
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;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?
The InChIKey is FXYUQBMPQSROIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S.C23H22N6O2.C22H20F3N5O2.C20H19N5O/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;1-15-17(12-24)4-7-20(28-15)29-21(30)23(8-10-31-11-9-23)19-5-2-16(3-6-19)18-13-26-22(25)27-14-18;23-22(24,25)18-6-5-17(13-27-18)30-19(31)21(7-9-32-10-8-21)16-3-1-14(2-4-16)15-11-28-20(26)29-12-15;21-19-23-12-15(13-24-19)14-2-4-16(5-3-14)20(8-1-9-20)18(26)25-17-6-10-22-11-7-17/h3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H,28,32,33);2-7,13-14H,8-11H2,1H3,(H2,25,26,27)(H,28,29,30);1-6,11-13H,7-10H2,(H,30,31)(H2,26,28,29);2-7,10-13H,1,8-9H2,(H2,21,23,24)(H,22,25,26).
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-(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?
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 has a molecular weight of 1705.90 g/mol, XLogP of 14.24, 18 rotatable bonds, 8 hydrogen bond donors, and 27 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;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 is sourced from PubChem (CID 158175644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).