4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one

C150H149BBr3N19O21S4 — CID 163555288

IUPAC4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCn1cc(-c2ccc3nc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3c2)c2cc[nH]c2c1=O.C=CCn1cc(-c2ccc3nc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3c2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3cc(Br)ccc3n2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)c[nH]c(=O)c32)cc1
InChIInChI=1S/C40H39N5O5S.C33H33N5O3.C23H27BN2O5S.C23H24BrN3O2.C17H15BrN2O3S.C14H11BrN2O3S/c1-5-19-44-26-35(34-18-20-45(38(34)40(44)47)51(48,49)33-14-6-27(2)7-15-33)30-10-16-37-31(25-30)11-17-36(41-37)29-8-12-32(13-9-29)50-24-23-43-22-21-42(4)39(46)28(43)3;1-4-15-38-21-28(27-13-14-34-31(27)33(38)40)24-7-11-30-25(20-24)8-12-29(35-30)23-5-9-26(10-6-23)41-19-18-37-17-16-36(3)32(39)22(37)2;1-7-13-25-15-19(24-30-22(3,4)23(5,6)31-24)18-12-14-26(20(18)21(25)27)32(28,29)17-10-8-16(2)9-11-17;1-16-23(28)26(2)11-12-27(16)13-14-29-20-7-3-17(4-8-20)21-9-5-18-15-19(24)6-10-22(18)25-21;1-3-9-19-11-15(18)14-8-10-20(16(14)17(19)21)24(22,23)13-6-4-12(2)5-7-13;1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17/h5-18,20,25-26,28H,1,19,21-24H2,2-4H3;4-14,20-22,34H,1,15-19H2,2-3H3;7-12,14-15H,1,13H2,2-6H3;3-10,15-16H,11-14H2,1-2H3;3-8,10-11H,1,9H2,2H3;2-8H,1H3,(H,16,18)/t28-;22-;;16-;;/m11.1../s1
InChIKeyFMMZLKQJNJEHCG-JADQPVPGSA-N
MW2932.75 g/mol
LogP23.87
Rot. Bonds34

About 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one

4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 163555288) has the molecular formula C150H149BBr3N19O21S4 and a molecular weight of 2932.75 g/mol. Its IUPAC name is 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID163555288
Molecular FormulaC150H149BBr3N19O21S4
Molecular Weight2932.75 g/mol
Exact Mass2927.77
IUPAC Name4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCn1cc(-c2ccc3nc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3c2)c2cc[nH]c2c1=O.C=CCn1cc(-c2ccc3nc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3c2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3cc(Br)ccc3n2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)c[nH]c(=O)c32)cc1
InChIInChI=1S/C40H39N5O5S.C33H33N5O3.C23H27BN2O5S.C23H24BrN3O2.C17H15BrN2O3S.C14H11BrN2O3S/c1-5-19-44-26-35(34-18-20-45(38(34)40(44)47)51(48,49)33-14-6-27(2)7-15-33)30-10-16-37-31(25-30)11-17-36(41-37)29-8-12-32(13-9-29)50-24-23-43-22-21-42(4)39(46)28(43)3;1-4-15-38-21-28(27-13-14-34-31(27)33(38)40)24-7-11-30-25(20-24)8-12-29(35-30)23-5-9-26(10-6-23)41-19-18-37-17-16-36(3)32(39)22(37)2;1-7-13-25-15-19(24-30-22(3,4)23(5,6)31-24)18-12-14-26(20(18)21(25)27)32(28,29)17-10-8-16(2)9-11-17;1-16-23(28)26(2)11-12-27(16)13-14-29-20-7-3-17(4-8-20)21-9-5-18-15-19(24)6-10-22(18)25-21;1-3-9-19-11-15(18)14-8-10-20(16(14)17(19)21)24(22,23)13-6-4-12(2)5-7-13;1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17/h5-18,20,25-26,28H,1,19,21-24H2,2-4H3;4-14,20-22,34H,1,15-19H2,2-3H3;7-12,14-15H,1,13H2,2-6H3;3-10,15-16H,11-14H2,1-2H3;3-8,10-11H,1,9H2,2H3;2-8H,1H3,(H,16,18)/t28-;22-;;16-;;/m11.1../s1
InChIKeyFMMZLKQJNJEHCG-JADQPVPGSA-N
XLogP23.87
TPSA448.40 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002932.75
LogP ≤ 523.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one (CID 163555288) is 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one is C=CCn1cc(-c2ccc3nc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3c2)c2cc[nH]c2c1=O.C=CCn1cc(-c2ccc3nc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3c2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3cc(Br)ccc3n2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)c[nH]c(=O)c32)cc1.
What is the InChIKey of 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is FMMZLKQJNJEHCG-JADQPVPGSA-N. The full InChI is InChI=1S/C40H39N5O5S.C33H33N5O3.C23H27BN2O5S.C23H24BrN3O2.C17H15BrN2O3S.C14H11BrN2O3S/c1-5-19-44-26-35(34-18-20-45(38(34)40(44)47)51(48,49)33-14-6-27(2)7-15-33)30-10-16-37-31(25-30)11-17-36(41-37)29-8-12-32(13-9-29)50-24-23-43-22-21-42(4)39(46)28(43)3;1-4-15-38-21-28(27-13-14-34-31(27)33(38)40)24-7-11-30-25(20-24)8-12-29(35-30)23-5-9-26(10-6-23)41-19-18-37-17-16-36(3)32(39)22(37)2;1-7-13-25-15-19(24-30-22(3,4)23(5,6)31-24)18-12-14-26(20(18)21(25)27)32(28,29)17-10-8-16(2)9-11-17;1-16-23(28)26(2)11-12-27(16)13-14-29-20-7-3-17(4-8-20)21-9-5-18-15-19(24)6-10-22(18)25-21;1-3-9-19-11-15(18)14-8-10-20(16(14)17(19)21)24(22,23)13-6-4-12(2)5-7-13;1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17/h5-18,20,25-26,28H,1,19,21-24H2,2-4H3;4-14,20-22,34H,1,15-19H2,2-3H3;7-12,14-15H,1,13H2,2-6H3;3-10,15-16H,11-14H2,1-2H3;3-8,10-11H,1,9H2,2H3;2-8H,1H3,(H,16,18)/t28-;22-;;16-;;/m11.1../s1.
What are the key properties of 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?
4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 2932.75 g/mol, XLogP of 23.87, 34 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;(3R)-4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163555288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).