7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide

C96H120BrN13O13PPdS3+ — CID 162152100

IUPAC7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CS(=O)(=O)O.NC(=O)c1cccnc1OC1CC2(CC(NC(=O)c3cnc4cc(Br)ccn34)C2)C1.NC(=O)c1cccnc1OC1CC2(CC(NC(=O)c3cnc4cc(N5CCS(=O)(=O)CC5)ccn34)C2)C1.O=S1(=O)CCNCC1.[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2]
InChIInChI=1S/C33H49P.C25H28N6O5S.C21H20BrN5O3.C12H9N.C4H9NO2S.CH4O3S.Pd/c1-23(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;26-22(32)19-2-1-4-27-24(19)36-18-13-25(14-18)11-16(12-25)29-23(33)20-15-28-21-10-17(3-5-31(20)21)30-6-8-37(34,35)9-7-30;22-12-3-5-27-16(11-25-17(27)6-12)19(29)26-13-7-21(8-13)9-14(10-21)30-20-15(18(23)28)2-1-4-24-20;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;6-8(7)3-1-5-2-4-8;1-5(2,3)4;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-5,10,15-16,18H,6-9,11-14H2,(H2,26,32)(H,29,33);1-6,11,13-14H,7-10H2,(H2,23,28)(H,26,29);1-6,8-9,13H;5H,1-4H2;1H3,(H,2,3,4);/q;;;-2;;;+2/p+1
InChIKeyQAAIGQZHRVOMTE-UHFFFAOYSA-O
MW1977.59 g/mol
LogP16.47
Rot. Bonds19

About 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide

7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide (PubChem CID 162152100) has the molecular formula C96H120BrN13O13PPdS3+ and a molecular weight of 1977.59 g/mol. Its IUPAC name is 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide
PubChem CID162152100
Molecular FormulaC96H120BrN13O13PPdS3+
Molecular Weight1977.59 g/mol
Exact Mass1974.62
IUPAC Name7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CS(=O)(=O)O.NC(=O)c1cccnc1OC1CC2(CC(NC(=O)c3cnc4cc(Br)ccn34)C2)C1.NC(=O)c1cccnc1OC1CC2(CC(NC(=O)c3cnc4cc(N5CCS(=O)(=O)CC5)ccn34)C2)C1.O=S1(=O)CCNCC1.[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2]
InChIInChI=1S/C33H49P.C25H28N6O5S.C21H20BrN5O3.C12H9N.C4H9NO2S.CH4O3S.Pd/c1-23(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;26-22(32)19-2-1-4-27-24(19)36-18-13-25(14-18)11-16(12-25)29-23(33)20-15-28-21-10-17(3-5-31(20)21)30-6-8-37(34,35)9-7-30;22-12-3-5-27-16(11-25-17(27)6-12)19(29)26-13-7-21(8-13)9-14(10-21)30-20-15(18(23)28)2-1-4-24-20;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;6-8(7)3-1-5-2-4-8;1-5(2,3)4;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-5,10,15-16,18H,6-9,11-14H2,(H2,26,32)(H,29,33);1-6,11,13-14H,7-10H2,(H2,23,28)(H,26,29);1-6,8-9,13H;5H,1-4H2;1H3,(H,2,3,4);/q;;;-2;;;+2/p+1
InChIKeyQAAIGQZHRVOMTE-UHFFFAOYSA-O
XLogP16.47
TPSA384.94 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.59
LogP ≤ 516.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide?
The IUPAC name of 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide (CID 162152100) is 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide is CC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CS(=O)(=O)O.NC(=O)c1cccnc1OC1CC2(CC(NC(=O)c3cnc4cc(Br)ccn34)C2)C1.NC(=O)c1cccnc1OC1CC2(CC(NC(=O)c3cnc4cc(N5CCS(=O)(=O)CC5)ccn34)C2)C1.O=S1(=O)CCNCC1.[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2].
What is the InChIKey of 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide?
The InChIKey is QAAIGQZHRVOMTE-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H49P.C25H28N6O5S.C21H20BrN5O3.C12H9N.C4H9NO2S.CH4O3S.Pd/c1-23(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;26-22(32)19-2-1-4-27-24(19)36-18-13-25(14-18)11-16(12-25)29-23(33)20-15-28-21-10-17(3-5-31(20)21)30-6-8-37(34,35)9-7-30;22-12-3-5-27-16(11-25-17(27)6-12)19(29)26-13-7-21(8-13)9-14(10-21)30-20-15(18(23)28)2-1-4-24-20;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;6-8(7)3-1-5-2-4-8;1-5(2,3)4;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-5,10,15-16,18H,6-9,11-14H2,(H2,26,32)(H,29,33);1-6,11,13-14H,7-10H2,(H2,23,28)(H,26,29);1-6,8-9,13H;5H,1-4H2;1H3,(H,2,3,4);/q;;;-2;;;+2/p+1.
What are the key properties of 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide?
7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide has a molecular weight of 1977.59 g/mol, XLogP of 16.47, 19 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 162152100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).