6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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

C120H121F3N24O12S — CID 158890928

About 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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

6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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 (PubChem CID 158890928) has the molecular formula C120H121F3N24O12S and a molecular weight of 2180.50 g/mol. Its IUPAC name is 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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.

Molecular Properties

• Compound Name: 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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
• PubChem CID: 158890928
• Molecular Formula: C120H121F3N24O12S
• Molecular Weight: 2180.50 g/mol
• Exact Mass: 2178.93
• IUPAC Name: 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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
• SMILES: CCCCCc1ccnc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6c(c5)CCN6)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Cc4cc(C(F)(F)F)ccn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(=O)O)cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccncc4)CCOCC3)cc2)cn1
• InChI: InChI=1S/C28H27N5O2S.C26H31N5O2.C23H21F3N4O2.C22H21N5O4.C21H21N5O2/c1-18-32-24(17-36-18)21-4-7-25(30-15-21)33-27(34)28(9-12-35-13-10-28)23-5-2-19(3-6-23)22-14-20-8-11-29-26(20)31-16-22;1-2-3-4-5-19-10-13-28-23(16-19)31-24(32)26(11-14-33-15-12-26)22-8-6-20(7-9-22)21-17-29-25(27)30-18-21;24-23(25,26)18-5-8-28-19(11-18)12-20(31)22(6-9-32-10-7-22)17-3-1-15(2-4-17)16-13-29-21(27)30-14-16;23-21-25-12-16(13-26-21)14-1-4-17(5-2-14)22(7-9-31-10-8-22)20(30)27-18-6-3-15(11-24-18)19(28)29;22-20-24-13-16(14-25-20)15-1-3-17(4-2-15)21(7-11-28-12-8-21)19(27)26-18-5-9-23-10-6-18/h2-7,14-17H,8-13H2,1H3,(H,29,31)(H,30,33,34);6-10,13,16-18H,2-5,11-12,14-15H2,1H3,(H2,27,29,30)(H,28,31,32);1-5,8,11,13-14H,6-7,9-10,12H2,(H2,27,29,30);1-6,11-13H,7-10H2,(H,28,29)(H2,23,25,26)(H,24,27,30);1-6,9-10,13-14H,7-8,11-12H2,(H2,22,24,25)(H,23,26,27)
• InChIKey: JEFNAGQLLFVHAU-UHFFFAOYSA-N
• XLogP: 19.08
• TPSA: 526.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2180.50
LogP ≤ 5	19.08
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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?

The IUPAC name of 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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 158890928) is 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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.

What is the SMILES notation for 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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?

The canonical SMILES for 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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 is CCCCCc1ccnc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6c(c5)CCN6)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Cc4cc(C(F)(F)F)ccn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(=O)O)cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccncc4)CCOCC3)cc2)cn1.

What is the InChIKey of 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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?

The InChIKey is JEFNAGQLLFVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2S.C26H31N5O2.C23H21F3N4O2.C22H21N5O4.C21H21N5O2/c1-18-32-24(17-36-18)21-4-7-25(30-15-21)33-27(34)28(9-12-35-13-10-28)23-5-2-19(3-6-23)22-14-20-8-11-29-26(20)31-16-22;1-2-3-4-5-19-10-13-28-23(16-19)31-24(32)26(11-14-33-15-12-26)22-8-6-20(7-9-22)21-17-29-25(27)30-18-21;24-23(25,26)18-5-8-28-19(11-18)12-20(31)22(6-9-32-10-7-22)17-3-1-15(2-4-17)16-13-29-21(27)30-14-16;23-21-25-12-16(13-26-21)14-1-4-17(5-2-14)22(7-9-31-10-8-22)20(30)27-18-6-3-15(11-24-18)19(28)29;22-20-24-13-16(14-25-20)15-1-3-17(4-2-15)21(7-11-28-12-8-21)19(27)26-18-5-9-23-10-6-18/h2-7,14-17H,8-13H2,1H3,(H,29,31)(H,30,33,34);6-10,13,16-18H,2-5,11-12,14-15H2,1H3,(H2,27,29,30)(H,28,31,32);1-5,8,11,13-14H,6-7,9-10,12H2,(H2,27,29,30);1-6,11-13H,7-10H2,(H,28,29)(H2,23,25,26)(H,24,27,30);1-6,9-10,13-14H,7-8,11-12H2,(H2,22,24,25)(H,23,26,27).

What are the key properties of 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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?

6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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 has a molecular weight of 2180.50 g/mol, XLogP of 19.08, 27 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylic acid;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-4-yloxane-4-carboxamide;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 is sourced from PubChem (CID 158890928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).