4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline

C59H52N10O7S2 — CID 158662989

About 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline

4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline (PubChem CID 158662989) has the molecular formula C59H52N10O7S2 and a molecular weight of 1077.26 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline.

Molecular Properties

• Compound Name: 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
• PubChem CID: 158662989
• Molecular Formula: C59H52N10O7S2
• Molecular Weight: 1077.26 g/mol
• Exact Mass: 1076.35
• IUPAC Name: 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
• SMILES: CC(C)(C)OC(=O)N1CC(Oc2cc(C(=O)O)nc(-c3ccccc3)c2)C1.Nc1ccccc1-c1nc2cccnc2s1.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OC2CNC2)cc(-c2ccccc2)n1
• InChI: InChI=1S/C27H21N5O2S.C20H22N2O5.C12H9N3S/c33-25(31-21-10-5-4-9-20(21)26-32-22-11-6-12-29-27(22)35-26)24-14-18(34-19-15-28-16-19)13-23(30-24)17-7-2-1-3-8-17;1-20(2,3)27-19(25)22-11-15(12-22)26-14-9-16(13-7-5-4-6-8-13)21-17(10-14)18(23)24;13-9-5-2-1-4-8(9)11-15-10-6-3-7-14-12(10)16-11/h1-14,19,28H,15-16H2,(H,31,33);4-10,15H,11-12H2,1-3H3,(H,23,24);1-7H,13H2
• InChIKey: ICZLCPJADVKHIU-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 229.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.26
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?

The IUPAC name of 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline (CID 158662989) is 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline.

What is the SMILES notation for 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?

The canonical SMILES for 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline is CC(C)(C)OC(=O)N1CC(Oc2cc(C(=O)O)nc(-c3ccccc3)c2)C1.Nc1ccccc1-c1nc2cccnc2s1.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OC2CNC2)cc(-c2ccccc2)n1.

What is the InChIKey of 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?

The InChIKey is ICZLCPJADVKHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2S.C20H22N2O5.C12H9N3S/c33-25(31-21-10-5-4-9-20(21)26-32-22-11-6-12-29-27(22)35-26)24-14-18(34-19-15-28-16-19)13-23(30-24)17-7-2-1-3-8-17;1-20(2,3)27-19(25)22-11-15(12-22)26-14-9-16(13-7-5-4-6-8-13)21-17(10-14)18(23)24;13-9-5-2-1-4-8(9)11-15-10-6-3-7-14-12(10)16-11/h1-14,19,28H,15-16H2,(H,31,33);4-10,15H,11-12H2,1-3H3,(H,23,24);1-7H,13H2.

What are the key properties of 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?

4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline has a molecular weight of 1077.26 g/mol, XLogP of 11.41, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(azetidin-3-yloxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-6-phenylpyridine-2-carboxylic acid;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline is sourced from PubChem (CID 158662989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).