2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide

C125H157BBrN11O21PPdS+ — CID 158879157

About 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide

2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide (PubChem CID 158879157) has the molecular formula C125H157BBrN11O21PPdS+ and a molecular weight of 2409.86 g/mol. Its IUPAC name is 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide.

Molecular Properties

• Compound Name: 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide
• PubChem CID: 158879157
• Molecular Formula: C125H157BBrN11O21PPdS+
• Molecular Weight: 2409.86 g/mol
• Exact Mass: 2406.93
• IUPAC Name: 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide
• SMILES: CC(C)(C)OC(=O)NC(C(=O)O)c1cccc(Br)c1.CC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3cc(-c5cccc(C(N)C(=O)O)c5)ccc3C(N)=O)C4)cnn2c1.CC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3cc(B5OC(C)(C)C(C)(C)O5)ccc3C(N)=O)C4)cnn2c1.CC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CS(=O)(=O)O.[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2]
• InChI: InChI=1S/C34H37N5O7.C33H49P.C32H41BN4O7.C13H16BrNO4.C12H9N.CH4O3S.Pd/c1-33(2,44)18-45-23-7-9-27-26(16-37-39(27)17-23)31(41)38-22-12-34(13-22)14-24(15-34)46-28-11-20(6-8-25(28)30(36)40)19-4-3-5-21(10-19)29(35)32(42)43;1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-29(2,40)18-41-21-8-10-25-24(16-35-37(25)17-21)28(39)36-20-12-32(13-20)14-22(15-32)42-26-11-19(7-9-23(26)27(34)38)33-43-30(3,4)31(5,6)44-33;1-13(2,3)19-12(18)15-10(11(16)17)8-5-4-6-9(14)7-8;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h3-11,16-17,22,24,29,44H,12-15,18,35H2,1-2H3,(H2,36,40)(H,38,41)(H,42,43);13-14,19-25,27-28H,7-12,15-18H2,1-6H3;7-11,16-17,20,22,40H,12-15,18H2,1-6H3,(H2,34,38)(H,36,39);4-7,10H,1-3H3,(H,15,18)(H,16,17);1-6,8-9,13H;1H3,(H,2,3,4);/q;;;;-2;;+2/p+1
• InChIKey: FPCKOJTYYRKTCA-UHFFFAOYSA-O
• XLogP: 23.12
• TPSA: 491.94 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.86
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?

The IUPAC name of 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide (CID 158879157) is 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide.

What is the SMILES notation for 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?

The canonical SMILES for 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide is CC(C)(C)OC(=O)NC(C(=O)O)c1cccc(Br)c1.CC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3cc(-c5cccc(C(N)C(=O)O)c5)ccc3C(N)=O)C4)cnn2c1.CC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3cc(B5OC(C)(C)C(C)(C)O5)ccc3C(N)=O)C4)cnn2c1.CC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CS(=O)(=O)O.[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2].

What is the InChIKey of 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?

The InChIKey is FPCKOJTYYRKTCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H37N5O7.C33H49P.C32H41BN4O7.C13H16BrNO4.C12H9N.CH4O3S.Pd/c1-33(2,44)18-45-23-7-9-27-26(16-37-39(27)17-23)31(41)38-22-12-34(13-22)14-24(15-34)46-28-11-20(6-8-25(28)30(36)40)19-4-3-5-21(10-19)29(35)32(42)43;1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-29(2,40)18-41-21-8-10-25-24(16-35-37(25)17-21)28(39)36-20-12-32(13-20)14-22(15-32)42-26-11-19(7-9-23(26)27(34)38)33-43-30(3,4)31(5,6)44-33;1-13(2,3)19-12(18)15-10(11(16)17)8-5-4-6-9(14)7-8;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h3-11,16-17,22,24,29,44H,12-15,18,35H2,1-2H3,(H2,36,40)(H,38,41)(H,42,43);13-14,19-25,27-28H,7-12,15-18H2,1-6H3;7-11,16-17,20,22,40H,12-15,18H2,1-6H3,(H2,34,38)(H,36,39);4-7,10H,1-3H3,(H,15,18)(H,16,17);1-6,8-9,13H;1H3,(H,2,3,4);/q;;;;-2;;+2/p+1.

What are the key properties of 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?

2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide has a molecular weight of 2409.86 g/mol, XLogP of 23.12, 31 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-[3-[4-carbamoyl-3-[6-[[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptan-2-yl]oxyphenyl]phenyl]acetic acid;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-[2-[2-carbamoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide is sourced from PubChem (CID 158879157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).