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

C90H98Cl3F9N16O14S4 — CID 161258292

IUPAC5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline
SMILESCC1=Nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(CC(=O)C3CC3)nc2C1.Cc1ccc(N)c(S(C)(=O)=O)c1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
InChIInChI=1S/C25H27F3N4O4S.C21H20F3N3O3S.C20H20ClF3N4O3S.C12H13Cl2N3O.C8H11NO2S.C4H7NO/c1-14-29-23-19(31-18-9-8-16(25(26,27)28)11-21(18)37(2,34)35)12-17(13-20(33)15-6-7-15)30-24(23)32(14)22-5-3-4-10-36-22;1-11-7-16-20(25-11)17(9-14(26-16)10-18(28)12-3-4-12)27-15-6-5-13(21(22,23)24)8-19(15)31(2,29)30;1-11-25-18-14(10-16(21)27-19(18)28(11)17-5-3-4-8-31-17)26-13-7-6-12(20(22,23)24)9-15(13)32(2,29)30;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-6-3-4-7(9)8(5-6)12(2,10)11;5-4(6)3-1-2-3/h8-9,11-12,15,22H,3-7,10,13H2,1-2H3,(H,30,31);5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,26,27);6-7,9-10,17H,3-5,8H2,1-2H3,(H,26,27);6,10H,2-5H2,1H3;3-5H,9H2,1-2H3;3H,1-2H2,(H2,5,6)
InChIKeyVCFKEDZQNWDJAK-UHFFFAOYSA-N
MW2033.48 g/mol
LogP19.41
Rot. Bonds20

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

5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline (PubChem CID 161258292) has the molecular formula C90H98Cl3F9N16O14S4 and a molecular weight of 2033.48 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline
PubChem CID161258292
Molecular FormulaC90H98Cl3F9N16O14S4
Molecular Weight2033.48 g/mol
Exact Mass2030.53
IUPAC Name5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline
SMILESCC1=Nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(CC(=O)C3CC3)nc2C1.Cc1ccc(N)c(S(C)(=O)=O)c1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
InChIInChI=1S/C25H27F3N4O4S.C21H20F3N3O3S.C20H20ClF3N4O3S.C12H13Cl2N3O.C8H11NO2S.C4H7NO/c1-14-29-23-19(31-18-9-8-16(25(26,27)28)11-21(18)37(2,34)35)12-17(13-20(33)15-6-7-15)30-24(23)32(14)22-5-3-4-10-36-22;1-11-7-16-20(25-11)17(9-14(26-16)10-18(28)12-3-4-12)27-15-6-5-13(21(22,23)24)8-19(15)31(2,29)30;1-11-25-18-14(10-16(21)27-19(18)28(11)17-5-3-4-8-31-17)26-13-7-6-12(20(22,23)24)9-15(13)32(2,29)30;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-6-3-4-7(9)8(5-6)12(2,10)11;5-4(6)3-1-2-3/h8-9,11-12,15,22H,3-7,10,13H2,1-2H3,(H,30,31);5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,26,27);6-7,9-10,17H,3-5,8H2,1-2H3,(H,26,27);6,10H,2-5H2,1H3;3-5H,9H2,1-2H3;3H,1-2H2,(H2,5,6)
InChIKeyVCFKEDZQNWDJAK-UHFFFAOYSA-N
XLogP19.41
TPSA420.97 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002033.48
LogP ≤ 519.41
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'}

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline?
The IUPAC name of 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline (CID 161258292) is 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline.
What is the SMILES notation for 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline?
The canonical SMILES for 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline is CC1=Nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(CC(=O)C3CC3)nc2C1.Cc1ccc(N)c(S(C)(=O)=O)c1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.
What is the InChIKey of 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline?
The InChIKey is VCFKEDZQNWDJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O4S.C21H20F3N3O3S.C20H20ClF3N4O3S.C12H13Cl2N3O.C8H11NO2S.C4H7NO/c1-14-29-23-19(31-18-9-8-16(25(26,27)28)11-21(18)37(2,34)35)12-17(13-20(33)15-6-7-15)30-24(23)32(14)22-5-3-4-10-36-22;1-11-7-16-20(25-11)17(9-14(26-16)10-18(28)12-3-4-12)27-15-6-5-13(21(22,23)24)8-19(15)31(2,29)30;1-11-25-18-14(10-16(21)27-19(18)28(11)17-5-3-4-8-31-17)26-13-7-6-12(20(22,23)24)9-15(13)32(2,29)30;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-6-3-4-7(9)8(5-6)12(2,10)11;5-4(6)3-1-2-3/h8-9,11-12,15,22H,3-7,10,13H2,1-2H3,(H,30,31);5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,26,27);6-7,9-10,17H,3-5,8H2,1-2H3,(H,26,27);6,10H,2-5H2,1H3;3-5H,9H2,1-2H3;3H,1-2H2,(H2,5,6).
What are the key properties of 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline?
5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline has a molecular weight of 2033.48 g/mol, XLogP of 19.41, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-methyl-2-methylsulfonylaniline is sourced from PubChem (CID 161258292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).