5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline

C95H96Cl3N19O11S4 — CID 157402082

IUPAC5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline
SMILESC#Cc1cccc(Cc2cc(Nc3ccccc3S(C)(=O)=O)c3c(n2)CC(C)=N3)n1.C#Cc1cccc(Cc2cc(Nc3ccccc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)n1.C#Cc1cccc(N)n1.CS(=O)(=O)c1ccccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccccc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1
InChIInChI=1S/C27H27N5O3S.C23H20N4O2S.C19H21ClN4O3S.C12H13Cl2N3O.C7H6N2.C7H9NO2S/c1-4-19-10-9-11-20(29-19)16-21-17-23(31-22-12-5-6-13-24(22)36(3,33)34)26-27(30-21)32(18(2)28-26)25-14-7-8-15-35-25;1-4-16-8-7-9-17(25-16)13-18-14-21(23-20(26-18)12-15(2)24-23)27-19-10-5-6-11-22(19)30(3,28)29;1-12-21-18-14(22-13-7-3-4-8-15(13)28(2,25)26)11-16(20)23-19(18)24(12)17-9-5-6-10-27-17;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-2-6-4-3-5-7(8)9-6;1-11(9,10)7-5-3-2-4-6(7)8/h1,5-6,9-13,17,25H,7-8,14-16H2,2-3H3,(H,30,31);1,5-11,14H,12-13H2,2-3H3,(H,26,27);3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H,22,23);6,10H,2-5H2,1H3;1,3-5H,(H2,8,9);2-5H,8H2,1H3
InChIKeyBNHFEWWVBXJQRC-UHFFFAOYSA-N
MW1914.56 g/mol
LogP17.70
Rot. Bonds17

About 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline

5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline (PubChem CID 157402082) has the molecular formula C95H96Cl3N19O11S4 and a molecular weight of 1914.56 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline
PubChem CID157402082
Molecular FormulaC95H96Cl3N19O11S4
Molecular Weight1914.56 g/mol
Exact Mass1911.55
IUPAC Name5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline
SMILESC#Cc1cccc(Cc2cc(Nc3ccccc3S(C)(=O)=O)c3c(n2)CC(C)=N3)n1.C#Cc1cccc(Cc2cc(Nc3ccccc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)n1.C#Cc1cccc(N)n1.CS(=O)(=O)c1ccccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccccc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1
InChIInChI=1S/C27H27N5O3S.C23H20N4O2S.C19H21ClN4O3S.C12H13Cl2N3O.C7H6N2.C7H9NO2S/c1-4-19-10-9-11-20(29-19)16-21-17-23(31-22-12-5-6-13-24(22)36(3,33)34)26-27(30-21)32(18(2)28-26)25-14-7-8-15-35-25;1-4-16-8-7-9-17(25-16)13-18-14-21(23-20(26-18)12-15(2)24-23)27-19-10-5-6-11-22(19)30(3,28)29;1-12-21-18-14(22-13-7-3-4-8-15(13)28(2,25)26)11-16(20)23-19(18)24(12)17-9-5-6-10-27-17;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-2-6-4-3-5-7(8)9-6;1-11(9,10)7-5-3-2-4-6(7)8/h1,5-6,9-13,17,25H,7-8,14-16H2,2-3H3,(H,30,31);1,5-11,14H,12-13H2,2-3H3,(H,26,27);3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H,22,23);6,10H,2-5H2,1H3;1,3-5H,(H2,8,9);2-5H,8H2,1H3
InChIKeyBNHFEWWVBXJQRC-UHFFFAOYSA-N
XLogP17.70
TPSA408.43 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds17
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001914.56
LogP ≤ 517.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline?
The IUPAC name of 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline (CID 157402082) is 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline.
What is the SMILES notation for 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline?
The canonical SMILES for 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline is C#Cc1cccc(Cc2cc(Nc3ccccc3S(C)(=O)=O)c3c(n2)CC(C)=N3)n1.C#Cc1cccc(Cc2cc(Nc3ccccc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)n1.C#Cc1cccc(N)n1.CS(=O)(=O)c1ccccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccccc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.
What is the InChIKey of 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline?
The InChIKey is BNHFEWWVBXJQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3S.C23H20N4O2S.C19H21ClN4O3S.C12H13Cl2N3O.C7H6N2.C7H9NO2S/c1-4-19-10-9-11-20(29-19)16-21-17-23(31-22-12-5-6-13-24(22)36(3,33)34)26-27(30-21)32(18(2)28-26)25-14-7-8-15-35-25;1-4-16-8-7-9-17(25-16)13-18-14-21(23-20(26-18)12-15(2)24-23)27-19-10-5-6-11-22(19)30(3,28)29;1-12-21-18-14(22-13-7-3-4-8-15(13)28(2,25)26)11-16(20)23-19(18)24(12)17-9-5-6-10-27-17;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-2-6-4-3-5-7(8)9-6;1-11(9,10)7-5-3-2-4-6(7)8/h1,5-6,9-13,17,25H,7-8,14-16H2,2-3H3,(H,30,31);1,5-11,14H,12-13H2,2-3H3,(H,26,27);3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H,22,23);6,10H,2-5H2,1H3;1,3-5H,(H2,8,9);2-5H,8H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline?
5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline has a molecular weight of 1914.56 g/mol, XLogP of 17.70, 17 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-ethynylpyridin-2-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-ethynyl-2-pyridinyl)methyl]-2-methyl-N-(2-methylsulfonylphenyl)-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonylaniline is sourced from PubChem (CID 157402082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).