5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline

C98H115Cl3F8IN17O11P5+ — CID 159124070

IUPAC5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline
SMILESCP(C)(=O)c1ccccc1N.CP(C)(=O)c1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1N=C(C(F)F)C2.CP(C)(=O)c1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C(F)F)n2C1CCCCO1.CP(C)(=O)c1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.C[P+](C)=O.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.Nc1ccccc1I
InChIInChI=1S/C25H29F2N4O3P.C21H22F2N3O2P.C20H22ClF2N4O2P.C12H11Cl2F2N3O.C8H12NOP.C6H6IN.C4H7NO.C2H6OP/c1-35(2,33)20-8-4-3-7-17(20)29-18-13-16(14-19(32)15-10-11-15)28-24-22(18)30-25(23(26)27)31(24)21-9-5-6-12-34-21;1-29(2,28)19-6-4-3-5-14(19)25-15-9-13(10-18(27)12-7-8-12)24-16-11-17(21(22)23)26-20(15)16;1-30(2,28)14-8-4-3-7-12(14)24-13-11-15(21)25-19-17(13)26-20(18(22)23)27(19)16-9-5-6-10-29-16;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-11(2,10)8-6-4-3-5-7(8)9;7-5-3-1-2-4-6(5)8;5-4(6)3-1-2-3;1-4(2)3/h3-4,7-8,13,15,21,23H,5-6,9-12,14H2,1-2H3,(H,28,29);3-6,9,12,21H,7-8,10-11H2,1-2H3,(H,24,25);3-4,7-8,11,16,18H,5-6,9-10H2,1-2H3,(H,24,25);5,8,10H,1-4H2;3-6H,9H2,1-2H3;1-4H,8H2;3H,1-2H2,(H2,5,6);1-2H3/q;;;;;;;+1
InChIKeyKUPOVFJHROGBJV-UHFFFAOYSA-N
MW2247.22 g/mol
LogP24.50
Rot. Bonds24

About 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline

5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline (PubChem CID 159124070) has the molecular formula C98H115Cl3F8IN17O11P5+ and a molecular weight of 2247.22 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline
PubChem CID159124070
Molecular FormulaC98H115Cl3F8IN17O11P5+
Molecular Weight2247.22 g/mol
Exact Mass2244.56
IUPAC Name5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline
SMILESCP(C)(=O)c1ccccc1N.CP(C)(=O)c1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1N=C(C(F)F)C2.CP(C)(=O)c1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C(F)F)n2C1CCCCO1.CP(C)(=O)c1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.C[P+](C)=O.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.Nc1ccccc1I
InChIInChI=1S/C25H29F2N4O3P.C21H22F2N3O2P.C20H22ClF2N4O2P.C12H11Cl2F2N3O.C8H12NOP.C6H6IN.C4H7NO.C2H6OP/c1-35(2,33)20-8-4-3-7-17(20)29-18-13-16(14-19(32)15-10-11-15)28-24-22(18)30-25(23(26)27)31(24)21-9-5-6-12-34-21;1-29(2,28)19-6-4-3-5-14(19)25-15-9-13(10-18(27)12-7-8-12)24-16-11-17(21(22)23)26-20(15)16;1-30(2,28)14-8-4-3-7-12(14)24-13-11-15(21)25-19-17(13)26-20(18(22)23)27(19)16-9-5-6-10-29-16;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-11(2,10)8-6-4-3-5-7(8)9;7-5-3-1-2-4-6(5)8;5-4(6)3-1-2-3;1-4(2)3/h3-4,7-8,13,15,21,23H,5-6,9-12,14H2,1-2H3,(H,28,29);3-6,9,12,21H,7-8,10-11H2,1-2H3,(H,24,25);3-4,7-8,11,16,18H,5-6,9-10H2,1-2H3,(H,24,25);5,8,10H,1-4H2;3-6H,9H2,1-2H3;1-4H,8H2;3H,1-2H2,(H2,5,6);1-2H3/q;;;;;;;+1
InChIKeyKUPOVFJHROGBJV-UHFFFAOYSA-N
XLogP24.50
TPSA395.78 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002247.22
LogP ≤ 524.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline (CID 159124070) is 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline is CP(C)(=O)c1ccccc1N.CP(C)(=O)c1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1N=C(C(F)F)C2.CP(C)(=O)c1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C(F)F)n2C1CCCCO1.CP(C)(=O)c1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.C[P+](C)=O.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.Nc1ccccc1I.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline?
The InChIKey is KUPOVFJHROGBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N4O3P.C21H22F2N3O2P.C20H22ClF2N4O2P.C12H11Cl2F2N3O.C8H12NOP.C6H6IN.C4H7NO.C2H6OP/c1-35(2,33)20-8-4-3-7-17(20)29-18-13-16(14-19(32)15-10-11-15)28-24-22(18)30-25(23(26)27)31(24)21-9-5-6-12-34-21;1-29(2,28)19-6-4-3-5-14(19)25-15-9-13(10-18(27)12-7-8-12)24-16-11-17(21(22)23)26-20(15)16;1-30(2,28)14-8-4-3-7-12(14)24-13-11-15(21)25-19-17(13)26-20(18(22)23)27(19)16-9-5-6-10-29-16;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-11(2,10)8-6-4-3-5-7(8)9;7-5-3-1-2-4-6(5)8;5-4(6)3-1-2-3;1-4(2)3/h3-4,7-8,13,15,21,23H,5-6,9-12,14H2,1-2H3,(H,28,29);3-6,9,12,21H,7-8,10-11H2,1-2H3,(H,24,25);3-4,7-8,11,16,18H,5-6,9-10H2,1-2H3,(H,24,25);5,8,10H,1-4H2;3-6H,9H2,1-2H3;1-4H,8H2;3H,1-2H2,(H2,5,6);1-2H3/q;;;;;;;+1.
What are the key properties of 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline?
5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline has a molecular weight of 2247.22 g/mol, XLogP of 24.50, 24 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-(2-dimethylphosphorylanilino)-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium;2-dimethylphosphorylaniline;2-iodoaniline is sourced from PubChem (CID 159124070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).