5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline

C110H143Cl3N16O14P4 — CID 159499571

IUPAC5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline
SMILESCC1=Nc2c(Nc3ccc(C4CCOCC4)cc3P(C)(C)=O)cc(CC(=O)C3CC3)nc2C1.CP(C)(=O)c1cc(C2CCOCC2)ccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CCOCC4)cc3P(C)(C)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CCOCC4)cc3P(C)(C)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
InChIInChI=1S/C30H39N4O4P.C26H32N3O3P.C25H32ClN4O3P.C13H20NO2P.C12H13Cl2N3O.C4H7NO/c1-19-31-29-25(33-24-10-9-22(16-27(24)39(2,3)36)20-11-14-37-15-12-20)17-23(18-26(35)21-7-8-21)32-30(29)34(19)28-6-4-5-13-38-28;1-16-12-22-26(27-16)23(14-20(28-22)15-24(30)18-4-5-18)29-21-7-6-19(13-25(21)33(2,3)31)17-8-10-32-11-9-17;1-16-27-24-20(15-22(26)29-25(24)30(16)23-6-4-5-11-33-23)28-19-8-7-18(14-21(19)34(2,3)31)17-9-12-32-13-10-17;1-17(2,15)13-9-11(3-4-12(13)14)10-5-7-16-8-6-10;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;5-4(6)3-1-2-3/h9-10,16-17,20-21,28H,4-8,11-15,18H2,1-3H3,(H,32,33);6-7,13-14,17-18H,4-5,8-12,15H2,1-3H3,(H,28,29);7-8,14-15,17,23H,4-6,9-13H2,1-3H3,(H,28,29);3-4,9-10H,5-8,14H2,1-2H3;6,10H,2-5H2,1H3;3H,1-2H2,(H2,5,6)
InChIKeyLZFCEZUPMJSWOG-UHFFFAOYSA-N
MW2143.71 g/mol
LogP23.00
Rot. Bonds24

About 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline

5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline (PubChem CID 159499571) has the molecular formula C110H143Cl3N16O14P4 and a molecular weight of 2143.71 g/mol. Its IUPAC name is 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline.

Molecular Properties

Compound Name5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline
PubChem CID159499571
Molecular FormulaC110H143Cl3N16O14P4
Molecular Weight2143.71 g/mol
Exact Mass2140.90
IUPAC Name5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline
SMILESCC1=Nc2c(Nc3ccc(C4CCOCC4)cc3P(C)(C)=O)cc(CC(=O)C3CC3)nc2C1.CP(C)(=O)c1cc(C2CCOCC2)ccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CCOCC4)cc3P(C)(C)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CCOCC4)cc3P(C)(C)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
InChIInChI=1S/C30H39N4O4P.C26H32N3O3P.C25H32ClN4O3P.C13H20NO2P.C12H13Cl2N3O.C4H7NO/c1-19-31-29-25(33-24-10-9-22(16-27(24)39(2,3)36)20-11-14-37-15-12-20)17-23(18-26(35)21-7-8-21)32-30(29)34(19)28-6-4-5-13-38-28;1-16-12-22-26(27-16)23(14-20(28-22)15-24(30)18-4-5-18)29-21-7-6-19(13-25(21)33(2,3)31)17-8-10-32-11-9-17;1-16-27-24-20(15-22(26)29-25(24)30(16)23-6-4-5-11-33-23)28-19-8-7-18(14-21(19)34(2,3)31)17-9-12-32-13-10-17;1-17(2,15)13-9-11(3-4-12(13)14)10-5-7-16-8-6-10;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;5-4(6)3-1-2-3/h9-10,16-17,20-21,28H,4-8,11-15,18H2,1-3H3,(H,32,33);6-7,13-14,17-18H,4-5,8-12,15H2,1-3H3,(H,28,29);7-8,14-15,17,23H,4-6,9-13H2,1-3H3,(H,28,29);3-4,9-10H,5-8,14H2,1-2H3;6,10H,2-5H2,1H3;3H,1-2H2,(H2,5,6)
InChIKeyLZFCEZUPMJSWOG-UHFFFAOYSA-N
XLogP23.00
TPSA389.61 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002143.71
LogP ≤ 523.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline?
The IUPAC name of 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline (CID 159499571) is 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline.
What is the SMILES notation for 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline?
The canonical SMILES for 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline is CC1=Nc2c(Nc3ccc(C4CCOCC4)cc3P(C)(C)=O)cc(CC(=O)C3CC3)nc2C1.CP(C)(=O)c1cc(C2CCOCC2)ccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CCOCC4)cc3P(C)(C)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CCOCC4)cc3P(C)(C)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.
What is the InChIKey of 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline?
The InChIKey is LZFCEZUPMJSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N4O4P.C26H32N3O3P.C25H32ClN4O3P.C13H20NO2P.C12H13Cl2N3O.C4H7NO/c1-19-31-29-25(33-24-10-9-22(16-27(24)39(2,3)36)20-11-14-37-15-12-20)17-23(18-26(35)21-7-8-21)32-30(29)34(19)28-6-4-5-13-38-28;1-16-12-22-26(27-16)23(14-20(28-22)15-24(30)18-4-5-18)29-21-7-6-19(13-25(21)33(2,3)31)17-8-10-32-11-9-17;1-16-27-24-20(15-22(26)29-25(24)30(16)23-6-4-5-11-33-23)28-19-8-7-18(14-21(19)34(2,3)31)17-9-12-32-13-10-17;1-17(2,15)13-9-11(3-4-12(13)14)10-5-7-16-8-6-10;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;5-4(6)3-1-2-3/h9-10,16-17,20-21,28H,4-8,11-15,18H2,1-3H3,(H,32,33);6-7,13-14,17-18H,4-5,8-12,15H2,1-3H3,(H,28,29);7-8,14-15,17,23H,4-6,9-13H2,1-3H3,(H,28,29);3-4,9-10H,5-8,14H2,1-2H3;6,10H,2-5H2,1H3;3H,1-2H2,(H2,5,6).
What are the key properties of 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline?
5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline has a molecular weight of 2143.71 g/mol, XLogP of 23.00, 24 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-dimethylphosphoryl-4-(oxan-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-dimethylphosphoryl-4-(oxan-4-yl)aniline is sourced from PubChem (CID 159499571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).