(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C124H124FN15O17S2 — CID 167565979

IUPAC(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILESCC(C)(C)[S@@](=O)N1Cc2cc(C(N)=O)nc(-c3cccc(-c4ccccc4)c3)c2[C@H]1CCO.CC(C)NC(=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.CC(C)NC(=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.CC(C)NS(=O)N1Cc2cc(C(N)=O)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO
InChIInChI=1S/C36H34N4O6.C35H33FN4O4.C27H28N4O4S.C26H29N3O3S/c1-21(2)38-36(43)40-19-26-16-27(35(42)37-18-22-10-11-30-32(14-22)45-20-44-30)39-34(33(26)28(40)12-13-41)25-8-5-7-23(15-25)31-17-24-6-3-4-9-29(24)46-31;1-21(2)38-35(43)40-20-26-17-28(34(42)37-19-25-9-3-5-12-27(25)36)39-33(32(26)29(40)14-15-41)24-11-7-10-22(16-24)31-18-23-8-4-6-13-30(23)44-31;1-16(2)30-36(34)31-15-20-13-21(27(28)33)29-26(25(20)22(31)10-11-32)19-8-5-7-17(12-19)24-14-18-6-3-4-9-23(18)35-24;1-26(2,3)33(32)29-16-20-15-21(25(27)31)28-24(23(20)22(29)12-13-30)19-11-7-10-18(14-19)17-8-5-4-6-9-17/h3-11,14-17,21,28,41H,12-13,18-20H2,1-2H3,(H,37,42)(H,38,43);3-13,16-18,21,29,41H,14-15,19-20H2,1-2H3,(H,37,42)(H,38,43);3-9,12-14,16,22,30,32H,10-11,15H2,1-2H3,(H2,28,33);4-11,14-15,22,30H,12-13,16H2,1-3H3,(H2,27,31)/t28-;29-;22-,36?;22-,33-/m1111/s1
InChIKeyFHDVHHJEIKPPNC-UJTUAHNISA-N
MW2179.58 g/mol
LogP21.06
Rot. Bonds30

About (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (PubChem CID 167565979) has the molecular formula C124H124FN15O17S2 and a molecular weight of 2179.58 g/mol. Its IUPAC name is (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
PubChem CID167565979
Molecular FormulaC124H124FN15O17S2
Molecular Weight2179.58 g/mol
Exact Mass2177.87
IUPAC Name(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILESCC(C)(C)[S@@](=O)N1Cc2cc(C(N)=O)nc(-c3cccc(-c4ccccc4)c3)c2[C@H]1CCO.CC(C)NC(=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.CC(C)NC(=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.CC(C)NS(=O)N1Cc2cc(C(N)=O)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO
InChIInChI=1S/C36H34N4O6.C35H33FN4O4.C27H28N4O4S.C26H29N3O3S/c1-21(2)38-36(43)40-19-26-16-27(35(42)37-18-22-10-11-30-32(14-22)45-20-44-30)39-34(33(26)28(40)12-13-41)25-8-5-7-23(15-25)31-17-24-6-3-4-9-29(24)46-31;1-21(2)38-35(43)40-20-26-17-28(34(42)37-19-25-9-3-5-12-27(25)36)39-33(32(26)29(40)14-15-41)24-11-7-10-22(16-24)31-18-23-8-4-6-13-30(23)44-31;1-16(2)30-36(34)31-15-20-13-21(27(28)33)29-26(25(20)22(31)10-11-32)19-8-5-7-17(12-19)24-14-18-6-3-4-9-23(18)35-24;1-26(2,3)33(32)29-16-20-15-21(25(27)31)28-24(23(20)22(29)12-13-30)19-11-7-10-18(14-19)17-8-5-4-6-9-17/h3-11,14-17,21,28,41H,12-13,18-20H2,1-2H3,(H,37,42)(H,38,43);3-13,16-18,21,29,41H,14-15,19-20H2,1-2H3,(H,37,42)(H,38,43);3-9,12-14,16,22,30,32H,10-11,15H2,1-2H3,(H2,28,33);4-11,14-15,22,30H,12-13,16H2,1-3H3,(H2,27,31)/t28-;29-;22-,36?;22-,33-/m1111/s1
InChIKeyFHDVHHJEIKPPNC-UJTUAHNISA-N
XLogP21.06
TPSA452.07 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002179.58
LogP ≤ 521.06
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Analyze (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 54649427
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 54649367
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 134830139
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromophenyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 130230188
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-butylsulfinyl-3-(2-hydroxyethyl)-4-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 137391110
(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 54649331
(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 54649358
(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 56835594
[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-piperidin-1-ylmethanone
CID 54649425
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 54649381
(3R)-2-tert-butylsulfinyl-4-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 51361571
[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-piperidin-1-ylmethanone
CID 54649392

Frequently Asked Questions

What is the IUPAC name of (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
The IUPAC name of (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CID 167565979) is (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.
What is the SMILES notation for (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
The canonical SMILES for (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide is CC(C)(C)[S@@](=O)N1Cc2cc(C(N)=O)nc(-c3cccc(-c4ccccc4)c3)c2[C@H]1CCO.CC(C)NC(=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.CC(C)NC(=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.CC(C)NS(=O)N1Cc2cc(C(N)=O)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.
What is the InChIKey of (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
The InChIKey is FHDVHHJEIKPPNC-UJTUAHNISA-N. The full InChI is InChI=1S/C36H34N4O6.C35H33FN4O4.C27H28N4O4S.C26H29N3O3S/c1-21(2)38-36(43)40-19-26-16-27(35(42)37-18-22-10-11-30-32(14-22)45-20-44-30)39-34(33(26)28(40)12-13-41)25-8-5-7-23(15-25)31-17-24-6-3-4-9-29(24)46-31;1-21(2)38-35(43)40-20-26-17-28(34(42)37-19-25-9-3-5-12-27(25)36)39-33(32(26)29(40)14-15-41)24-11-7-10-22(16-24)31-18-23-8-4-6-13-30(23)44-31;1-16(2)30-36(34)31-15-20-13-21(27(28)33)29-26(25(20)22(31)10-11-32)19-8-5-7-17(12-19)24-14-18-6-3-4-9-23(18)35-24;1-26(2,3)33(32)29-16-20-15-21(25(27)31)28-24(23(20)22(29)12-13-30)19-11-7-10-18(14-19)17-8-5-4-6-9-17/h3-11,14-17,21,28,41H,12-13,18-20H2,1-2H3,(H,37,42)(H,38,43);3-13,16-18,21,29,41H,14-15,19-20H2,1-2H3,(H,37,42)(H,38,43);3-9,12-14,16,22,30,32H,10-11,15H2,1-2H3,(H2,28,33);4-11,14-15,22,30H,12-13,16H2,1-3H3,(H2,27,31)/t28-;29-;22-,36?;22-,33-/m1111/s1.
What are the key properties of (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide has a molecular weight of 2179.58 g/mol, XLogP of 21.06, 30 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-6-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-2-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-2-propan-2-ylsulfinamoyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 167565979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).