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

C113H133Br2Cl3F6N17O13P4+ — CID 162055706

IUPAC2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium
SMILESCP(C)(=O)c1cc(C2CC2)ccc1N.CP(C)(=O)c1cc(C2CC2)ccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C(F)F)n2C1CCCCO1.CP(C)(=O)c1cc(C2CC2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.C[P+](C)=O.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.Nc1ccc(C2CC2)cc1.Nc1ccc(C2CC2)cc1Br.O=[N+]([O-])c1ccc(Br)cc1.O=[N+]([O-])c1ccc(C2CC2)cc1
InChIInChI=1S/C28H33F2N4O3P.C23H26ClF2N4O2P.C12H11Cl2F2N3O.C11H16NOP.C9H10BrN.C9H9NO2.C9H11N.C6H4BrNO2.C4H7NO.C2H6OP/c1-38(2,36)23-13-18(16-6-7-16)10-11-20(23)32-21-14-19(15-22(35)17-8-9-17)31-27-25(21)33-28(26(29)30)34(27)24-5-3-4-12-37-24;1-33(2,31)17-11-14(13-6-7-13)8-9-15(17)27-16-12-18(24)28-22-20(16)29-23(21(25)26)30(22)19-5-3-4-10-32-19;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-14(2,13)11-7-9(8-3-4-8)5-6-10(11)12;10-8-5-7(6-1-2-6)3-4-9(8)11;11-10(12)9-5-3-8(4-6-9)7-1-2-7;10-9-5-3-8(4-6-9)7-1-2-7;7-5-1-3-6(4-2-5)8(9)10;5-4(6)3-1-2-3;1-4(2)3/h10-11,13-14,16-17,24,26H,3-9,12,15H2,1-2H3,(H,31,32);8-9,11-13,19,21H,3-7,10H2,1-2H3,(H,27,28);5,8,10H,1-4H2;5-8H,3-4,12H2,1-2H3;3-6H,1-2,11H2;3-7H,1-2H2;3-7H,1-2,10H2;1-4H;3H,1-2H2,(H2,5,6);1-2H3/q;;;;;;;;;+1
InChIKeyDJXBFMNFCIBYSO-UHFFFAOYSA-N
MW2441.46 g/mol
LogP30.66
Rot. Bonds25

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

2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium (PubChem CID 162055706) has the molecular formula C113H133Br2Cl3F6N17O13P4+ and a molecular weight of 2441.46 g/mol. Its IUPAC name is 2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium.

Molecular Properties

Compound Name2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium
PubChem CID162055706
Molecular FormulaC113H133Br2Cl3F6N17O13P4+
Molecular Weight2441.46 g/mol
Exact Mass2436.66
IUPAC Name2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium
SMILESCP(C)(=O)c1cc(C2CC2)ccc1N.CP(C)(=O)c1cc(C2CC2)ccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C(F)F)n2C1CCCCO1.CP(C)(=O)c1cc(C2CC2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.C[P+](C)=O.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.Nc1ccc(C2CC2)cc1.Nc1ccc(C2CC2)cc1Br.O=[N+]([O-])c1ccc(Br)cc1.O=[N+]([O-])c1ccc(C2CC2)cc1
InChIInChI=1S/C28H33F2N4O3P.C23H26ClF2N4O2P.C12H11Cl2F2N3O.C11H16NOP.C9H10BrN.C9H9NO2.C9H11N.C6H4BrNO2.C4H7NO.C2H6OP/c1-38(2,36)23-13-18(16-6-7-16)10-11-20(23)32-21-14-19(15-22(35)17-8-9-17)31-27-25(21)33-28(26(29)30)34(27)24-5-3-4-12-37-24;1-33(2,31)17-11-14(13-6-7-13)8-9-15(17)27-16-12-18(24)28-22-20(16)29-23(21(25)26)30(22)19-5-3-4-10-32-19;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-14(2,13)11-7-9(8-3-4-8)5-6-10(11)12;10-8-5-7(6-1-2-6)3-4-9(8)11;11-10(12)9-5-3-8(4-6-9)7-1-2-7;10-9-5-3-8(4-6-9)7-1-2-7;7-5-1-3-6(4-2-5)8(9)10;5-4(6)3-1-2-3;1-4(2)3/h10-11,13-14,16-17,24,26H,3-9,12,15H2,1-2H3,(H,31,32);8-9,11-13,19,21H,3-7,10H2,1-2H3,(H,27,28);5,8,10H,1-4H2;5-8H,3-4,12H2,1-2H3;3-6H,1-2,11H2;3-7H,1-2H2;3-7H,1-2,10H2;1-4H;3H,1-2H2,(H2,5,6);1-2H3/q;;;;;;;;;+1
InChIKeyDJXBFMNFCIBYSO-UHFFFAOYSA-N
XLogP30.66
TPSA436.66 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002441.46
LogP ≤ 530.66
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium?
The IUPAC name of 2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium (CID 162055706) is 2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium.
What is the SMILES notation for 2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium?
The canonical SMILES for 2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium is CP(C)(=O)c1cc(C2CC2)ccc1N.CP(C)(=O)c1cc(C2CC2)ccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C(F)F)n2C1CCCCO1.CP(C)(=O)c1cc(C2CC2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.C[P+](C)=O.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.Nc1ccc(C2CC2)cc1.Nc1ccc(C2CC2)cc1Br.O=[N+]([O-])c1ccc(Br)cc1.O=[N+]([O-])c1ccc(C2CC2)cc1.
What is the InChIKey of 2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium?
The InChIKey is DJXBFMNFCIBYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N4O3P.C23H26ClF2N4O2P.C12H11Cl2F2N3O.C11H16NOP.C9H10BrN.C9H9NO2.C9H11N.C6H4BrNO2.C4H7NO.C2H6OP/c1-38(2,36)23-13-18(16-6-7-16)10-11-20(23)32-21-14-19(15-22(35)17-8-9-17)31-27-25(21)33-28(26(29)30)34(27)24-5-3-4-12-37-24;1-33(2,31)17-11-14(13-6-7-13)8-9-15(17)27-16-12-18(24)28-22-20(16)29-23(21(25)26)30(22)19-5-3-4-10-32-19;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-14(2,13)11-7-9(8-3-4-8)5-6-10(11)12;10-8-5-7(6-1-2-6)3-4-9(8)11;11-10(12)9-5-3-8(4-6-9)7-1-2-7;10-9-5-3-8(4-6-9)7-1-2-7;7-5-1-3-6(4-2-5)8(9)10;5-4(6)3-1-2-3;1-4(2)3/h10-11,13-14,16-17,24,26H,3-9,12,15H2,1-2H3,(H,31,32);8-9,11-13,19,21H,3-7,10H2,1-2H3,(H,27,28);5,8,10H,1-4H2;5-8H,3-4,12H2,1-2H3;3-6H,1-2,11H2;3-7H,1-2H2;3-7H,1-2,10H2;1-4H;3H,1-2H2,(H2,5,6);1-2H3/q;;;;;;;;;+1.
What are the key properties of 2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium?
2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium has a molecular weight of 2441.46 g/mol, XLogP of 30.66, 25 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyclopropylaniline;1-bromo-4-nitrobenzene;5-chloro-N-(4-cyclopropyl-2-dimethylphosphorylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;4-cyclopropylaniline;1-cyclopropyl-2-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-cyclopropyl-2-dimethylphosphorylaniline;1-cyclopropyl-4-nitrobenzene;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;dimethyl(oxo)phosphanium is sourced from PubChem (CID 162055706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).