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

C125H126N26O9S2 — CID 159744430

IUPAC4-[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
SMILESCN1CCN(c2cccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)c2)CC1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(C)n5)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Cc5ccccc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccnc4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc5ccccc5s4)CCOCC3)cc2)cn1
InChIInChI=1S/C29H28N4O2.C27H32N6O2.C26H26N6O2S.C23H21N5O2S.C20H19N5O/c30-28-31-19-24(20-32-28)23-8-10-25(11-9-23)29(14-16-35-17-15-29)27(34)33-26-12-6-22(7-13-26)18-21-4-2-1-3-5-21;1-32-11-13-33(14-12-32)24-4-2-3-23(17-24)31-25(34)27(9-15-35-16-10-27)22-7-5-20(6-8-22)21-18-29-26(28)30-19-21;1-16-24(27)29-14-21(30-16)18-3-6-20(7-4-18)26(9-11-34-12-10-26)25(33)32-23-8-5-19(13-28-23)22-15-35-17(2)31-22;24-21-25-13-16(14-26-21)15-5-7-17(8-6-15)23(9-11-30-12-10-23)20(29)28-22-27-18-3-1-2-4-19(18)31-22;21-19-23-11-15(12-24-19)14-4-6-16(7-5-14)20(8-2-9-20)18(26)25-17-3-1-10-22-13-17/h1-13,19-20H,14-18H2,(H,33,34)(H2,30,31,32);2-8,17-19H,9-16H2,1H3,(H,31,34)(H2,28,29,30);3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H,28,32,33);1-8,13-14H,9-12H2,(H2,24,25,26)(H,27,28,29);1,3-7,10-13H,2,8-9H2,(H,25,26)(H2,21,23,24)
InChIKeyNCWBFXZCMLTBPO-UHFFFAOYSA-N
MW2200.69 g/mol
LogP19.92
Rot. Bonds24

About 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

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 (PubChem CID 159744430) has the molecular formula C125H126N26O9S2 and a molecular weight of 2200.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159744430
Molecular FormulaC125H126N26O9S2
Molecular Weight2200.69 g/mol
Exact Mass2198.96
IUPAC Name4-[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
SMILESCN1CCN(c2cccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)c2)CC1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(C)n5)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Cc5ccccc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccnc4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc5ccccc5s4)CCOCC3)cc2)cn1
InChIInChI=1S/C29H28N4O2.C27H32N6O2.C26H26N6O2S.C23H21N5O2S.C20H19N5O/c30-28-31-19-24(20-32-28)23-8-10-25(11-9-23)29(14-16-35-17-15-29)27(34)33-26-12-6-22(7-13-26)18-21-4-2-1-3-5-21;1-32-11-13-33(14-12-32)24-4-2-3-23(17-24)31-25(34)27(9-15-35-16-10-27)22-7-5-20(6-8-22)21-18-29-26(28)30-19-21;1-16-24(27)29-14-21(30-16)18-3-6-20(7-4-18)26(9-11-34-12-10-26)25(33)32-23-8-5-19(13-28-23)22-15-35-17(2)31-22;24-21-25-13-16(14-26-21)15-5-7-17(8-6-15)23(9-11-30-12-10-23)20(29)28-22-27-18-3-1-2-4-19(18)31-22;21-19-23-11-15(12-24-19)14-4-6-16(7-5-14)20(8-2-9-20)18(26)25-17-3-1-10-22-13-17/h1-13,19-20H,14-18H2,(H,33,34)(H2,30,31,32);2-8,17-19H,9-16H2,1H3,(H,31,34)(H2,28,29,30);3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H,28,32,33);1-8,13-14H,9-12H2,(H2,24,25,26)(H,27,28,29);1,3-7,10-13H,2,8-9H2,(H,25,26)(H2,21,23,24)
InChIKeyNCWBFXZCMLTBPO-UHFFFAOYSA-N
XLogP19.92
TPSA499.46 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002200.69
LogP ≤ 519.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(c2cccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)c2)CC1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(C)n5)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Cc5ccccc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccnc4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc5ccccc5s4)CCOCC3)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is NCWBFXZCMLTBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2.C27H32N6O2.C26H26N6O2S.C23H21N5O2S.C20H19N5O/c30-28-31-19-24(20-32-28)23-8-10-25(11-9-23)29(14-16-35-17-15-29)27(34)33-26-12-6-22(7-13-26)18-21-4-2-1-3-5-21;1-32-11-13-33(14-12-32)24-4-2-3-23(17-24)31-25(34)27(9-15-35-16-10-27)22-7-5-20(6-8-22)21-18-29-26(28)30-19-21;1-16-24(27)29-14-21(30-16)18-3-6-20(7-4-18)26(9-11-34-12-10-26)25(33)32-23-8-5-19(13-28-23)22-15-35-17(2)31-22;24-21-25-13-16(14-26-21)15-5-7-17(8-6-15)23(9-11-30-12-10-23)20(29)28-22-27-18-3-1-2-4-19(18)31-22;21-19-23-11-15(12-24-19)14-4-6-16(7-5-14)20(8-2-9-20)18(26)25-17-3-1-10-22-13-17/h1-13,19-20H,14-18H2,(H,33,34)(H2,30,31,32);2-8,17-19H,9-16H2,1H3,(H,31,34)(H2,28,29,30);3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H,28,32,33);1-8,13-14H,9-12H2,(H2,24,25,26)(H,27,28,29);1,3-7,10-13H,2,8-9H2,(H,25,26)(H2,21,23,24).
What are the key properties of 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?
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 has a molecular weight of 2200.69 g/mol, XLogP of 19.92, 24 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159744430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).