(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide

C141H135F6N19O18S — CID 157244093

IUPAC(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide
SMILESCC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.CC(C)NC(=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO.CCNC(=O)c1cc2c(c(-c3cccc(-c4cccnc4)c3)n1)[C@@H](CCO)NC2.O=C(NCC(F)(F)F)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)NC2.O=C(NCc1ccc2c(c1)OCO2)c1cc2c(c(-c3cccc(-c4cccnc4)c3)n1)[C@@H](CCO)NC2
InChIInChI=1S/C33H33N5O5.C30H30F3N3O4S.C29H26N4O4.C26H22F3N3O3.C23H24N4O2/c1-20(2)36-33(41)38-18-25-15-26(32(40)35-16-21-8-9-28-29(13-21)43-19-42-28)37-31(30(25)27(38)10-12-39)23-6-3-5-22(14-23)24-7-4-11-34-17-24;1-29(2,3)41(39)36-16-21-14-22(28(38)34-17-30(31,32)33)35-27(26(21)23(36)11-12-37)20-9-6-8-18(13-20)25-15-19-7-4-5-10-24(19)40-25;34-10-8-23-27-22(16-31-23)13-24(29(35)32-14-18-6-7-25-26(11-18)37-17-36-25)33-28(27)20-4-1-3-19(12-20)21-5-2-9-30-15-21;27-26(28,29)14-31-25(34)20-11-18-13-30-19(8-9-33)23(18)24(32-20)17-6-3-5-15(10-17)22-12-16-4-1-2-7-21(16)35-22;1-2-25-23(29)20-12-18-14-26-19(8-10-28)21(18)22(27-20)16-6-3-5-15(11-16)17-7-4-9-24-13-17/h3-9,11,13-15,17,20,27,39H,10,12,16,18-19H2,1-2H3,(H,35,40)(H,36,41);4-10,13-15,23,37H,11-12,16-17H2,1-3H3,(H,34,38);1-7,9,11-13,15,23,31,34H,8,10,14,16-17H2,(H,32,35);1-7,10-12,19,30,33H,8-9,13-14H2,(H,31,34);3-7,9,11-13,19,26,28H,2,8,10,14H2,1H3,(H,25,29)/t27-;23-,41-;23-;2*19-/m11111/s1
InChIKeyAVNZNPFYAJWRJB-BDAXBKHTSA-N
MW2529.80 g/mol
LogP23.05
Rot. Bonds34

About (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide

(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide (PubChem CID 157244093) has the molecular formula C141H135F6N19O18S and a molecular weight of 2529.80 g/mol. Its IUPAC name is (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide
PubChem CID157244093
Molecular FormulaC141H135F6N19O18S
Molecular Weight2529.80 g/mol
Exact Mass2527.99
IUPAC Name(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide
SMILESCC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.CC(C)NC(=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO.CCNC(=O)c1cc2c(c(-c3cccc(-c4cccnc4)c3)n1)[C@@H](CCO)NC2.O=C(NCC(F)(F)F)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)NC2.O=C(NCc1ccc2c(c1)OCO2)c1cc2c(c(-c3cccc(-c4cccnc4)c3)n1)[C@@H](CCO)NC2
InChIInChI=1S/C33H33N5O5.C30H30F3N3O4S.C29H26N4O4.C26H22F3N3O3.C23H24N4O2/c1-20(2)36-33(41)38-18-25-15-26(32(40)35-16-21-8-9-28-29(13-21)43-19-42-28)37-31(30(25)27(38)10-12-39)23-6-3-5-22(14-23)24-7-4-11-34-17-24;1-29(2,3)41(39)36-16-21-14-22(28(38)34-17-30(31,32)33)35-27(26(21)23(36)11-12-37)20-9-6-8-18(13-20)25-15-19-7-4-5-10-24(19)40-25;34-10-8-23-27-22(16-31-23)13-24(29(35)32-14-18-6-7-25-26(11-18)37-17-36-25)33-28(27)20-4-1-3-19(12-20)21-5-2-9-30-15-21;27-26(28,29)14-31-25(34)20-11-18-13-30-19(8-9-33)23(18)24(32-20)17-6-3-5-15(10-17)22-12-16-4-1-2-7-21(16)35-22;1-2-25-23(29)20-12-18-14-26-19(8-10-28)21(18)22(27-20)16-6-3-5-15(11-16)17-7-4-9-24-13-17/h3-9,11,13-15,17,20,27,39H,10,12,16,18-19H2,1-2H3,(H,35,40)(H,36,41);4-10,13-15,23,37H,11-12,16-17H2,1-3H3,(H,34,38);1-7,9,11-13,15,23,31,34H,8,10,14,16-17H2,(H,32,35);1-7,10-12,19,30,33H,8-9,13-14H2,(H,31,34);3-7,9,11-13,19,26,28H,2,8,10,14H2,1H3,(H,25,29)/t27-;23-,41-;23-;2*19-/m11111/s1
InChIKeyAVNZNPFYAJWRJB-BDAXBKHTSA-N
XLogP23.05
TPSA501.71 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002529.80
LogP ≤ 523.05
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide?
The IUPAC name of (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide (CID 157244093) is (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide.
What is the SMILES notation for (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide?
The canonical SMILES for (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide is CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO.CC(C)NC(=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO.CCNC(=O)c1cc2c(c(-c3cccc(-c4cccnc4)c3)n1)[C@@H](CCO)NC2.O=C(NCC(F)(F)F)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)NC2.O=C(NCc1ccc2c(c1)OCO2)c1cc2c(c(-c3cccc(-c4cccnc4)c3)n1)[C@@H](CCO)NC2.
What is the InChIKey of (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide?
The InChIKey is AVNZNPFYAJWRJB-BDAXBKHTSA-N. The full InChI is InChI=1S/C33H33N5O5.C30H30F3N3O4S.C29H26N4O4.C26H22F3N3O3.C23H24N4O2/c1-20(2)36-33(41)38-18-25-15-26(32(40)35-16-21-8-9-28-29(13-21)43-19-42-28)37-31(30(25)27(38)10-12-39)23-6-3-5-22(14-23)24-7-4-11-34-17-24;1-29(2,3)41(39)36-16-21-14-22(28(38)34-17-30(31,32)33)35-27(26(21)23(36)11-12-37)20-9-6-8-18(13-20)25-15-19-7-4-5-10-24(19)40-25;34-10-8-23-27-22(16-31-23)13-24(29(35)32-14-18-6-7-25-26(11-18)37-17-36-25)33-28(27)20-4-1-3-19(12-20)21-5-2-9-30-15-21;27-26(28,29)14-31-25(34)20-11-18-13-30-19(8-9-33)23(18)24(32-20)17-6-3-5-15(10-17)22-12-16-4-1-2-7-21(16)35-22;1-2-25-23(29)20-12-18-14-26-19(8-10-28)21(18)22(27-20)16-6-3-5-15(11-16)17-7-4-9-24-13-17/h3-9,11,13-15,17,20,27,39H,10,12,16,18-19H2,1-2H3,(H,35,40)(H,36,41);4-10,13-15,23,37H,11-12,16-17H2,1-3H3,(H,34,38);1-7,9,11-13,15,23,31,34H,8,10,14,16-17H2,(H,32,35);1-7,10-12,19,30,33H,8-9,13-14H2,(H,31,34);3-7,9,11-13,19,26,28H,2,8,10,14H2,1H3,(H,25,29)/t27-;23-,41-;23-;2*19-/m11111/s1.
What are the key properties of (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide?
(3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide has a molecular weight of 2529.80 g/mol, XLogP of 23.05, 34 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-2-N-propan-2-yl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-4-[3-(1-benzofuran-2-yl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide;(3R)-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 157244093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).