2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide

C153H141F7N26O12S3 — CID 167650396

IUPAC2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3ccccn3)c3cc(F)ccc3O)C4)cc2)CC1.CN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)c(F)c2)CC1.CN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)cc2F)CC1.CN1CCC(c2ccc(-c3cnc4c(c3)C(=O)N(C(C(=O)Nc3ccccn3)c3cc(F)ccc3O)C4)cc2)CC1.CN1CCC(c2ccc(-c3cnc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)cn2)CC1
InChIInChI=1S/2C32H30FN5O3.2C30H27F2N5O2S.C29H27FN6O2S/c1-37-16-13-21(14-17-37)20-5-7-22(8-6-20)26-11-9-23-19-38(32(41)29(23)35-26)30(25-18-24(33)10-12-27(25)39)31(40)36-28-4-2-3-15-34-28;1-37-14-11-22(12-15-37)20-5-7-21(8-6-20)23-16-25-27(35-18-23)19-38(32(25)41)30(26-17-24(33)9-10-28(26)39)31(40)36-29-4-2-3-13-34-29;1-36-12-9-18(10-13-36)23-7-5-19(16-24(23)32)25-8-6-21-17-37(29(39)26(21)34-25)27(20-3-2-4-22(31)15-20)28(38)35-30-33-11-14-40-30;1-36-12-9-18(10-13-36)19-5-7-23(24(32)16-19)25-8-6-21-17-37(29(39)26(21)34-25)27(20-3-2-4-22(31)15-20)28(38)35-30-33-11-14-40-30;1-35-10-7-18(8-11-35)24-6-5-20(15-32-24)21-14-23-25(33-16-21)17-36(28(23)38)26(19-3-2-4-22(30)13-19)27(37)34-29-31-9-12-39-29/h2-12,15,18,21,30,39H,13-14,16-17,19H2,1H3,(H,34,36,40);2-10,13,16-18,22,30,39H,11-12,14-15,19H2,1H3,(H,34,36,40);2*2-8,11,14-16,18,27H,9-10,12-13,17H2,1H3,(H,33,35,38);2-6,9,12-16,18,26H,7-8,10-11,17H2,1H3,(H,31,34,37)
InChIKeyQMMHSUXGBQCLTO-UHFFFAOYSA-N
MW2765.17 g/mol
LogP26.41
Rot. Bonds30

About 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide

2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 167650396) has the molecular formula C153H141F7N26O12S3 and a molecular weight of 2765.17 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID167650396
Molecular FormulaC153H141F7N26O12S3
Molecular Weight2765.17 g/mol
Exact Mass2763.03
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3ccccn3)c3cc(F)ccc3O)C4)cc2)CC1.CN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)c(F)c2)CC1.CN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)cc2F)CC1.CN1CCC(c2ccc(-c3cnc4c(c3)C(=O)N(C(C(=O)Nc3ccccn3)c3cc(F)ccc3O)C4)cc2)CC1.CN1CCC(c2ccc(-c3cnc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)cn2)CC1
InChIInChI=1S/2C32H30FN5O3.2C30H27F2N5O2S.C29H27FN6O2S/c1-37-16-13-21(14-17-37)20-5-7-22(8-6-20)26-11-9-23-19-38(32(41)29(23)35-26)30(25-18-24(33)10-12-27(25)39)31(40)36-28-4-2-3-15-34-28;1-37-14-11-22(12-15-37)20-5-7-21(8-6-20)23-16-25-27(35-18-23)19-38(32(25)41)30(26-17-24(33)9-10-28(26)39)31(40)36-29-4-2-3-13-34-29;1-36-12-9-18(10-13-36)23-7-5-19(16-24(23)32)25-8-6-21-17-37(29(39)26(21)34-25)27(20-3-2-4-22(31)15-20)28(38)35-30-33-11-14-40-30;1-36-12-9-18(10-13-36)19-5-7-23(24(32)16-19)25-8-6-21-17-37(29(39)26(21)34-25)27(20-3-2-4-22(31)15-20)28(38)35-30-33-11-14-40-30;1-35-10-7-18(8-11-35)24-6-5-20(15-32-24)21-14-23-25(33-16-21)17-36(28(23)38)26(19-3-2-4-22(30)13-19)27(37)34-29-31-9-12-39-29/h2-12,15,18,21,30,39H,13-14,16-17,19H2,1H3,(H,34,36,40);2-10,13,16-18,22,30,39H,11-12,14-15,19H2,1H3,(H,34,36,40);2*2-8,11,14-16,18,27H,9-10,12-13,17H2,1H3,(H,33,35,38);2-6,9,12-16,18,26H,7-8,10-11,17H2,1H3,(H,31,34,37)
InChIKeyQMMHSUXGBQCLTO-UHFFFAOYSA-N
XLogP26.41
TPSA445.50 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002765.17
LogP ≤ 526.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 167650396) is 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide is CN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3ccccn3)c3cc(F)ccc3O)C4)cc2)CC1.CN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)c(F)c2)CC1.CN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)cc2F)CC1.CN1CCC(c2ccc(-c3cnc4c(c3)C(=O)N(C(C(=O)Nc3ccccn3)c3cc(F)ccc3O)C4)cc2)CC1.CN1CCC(c2ccc(-c3cnc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)cn2)CC1.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QMMHSUXGBQCLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H30FN5O3.2C30H27F2N5O2S.C29H27FN6O2S/c1-37-16-13-21(14-17-37)20-5-7-22(8-6-20)26-11-9-23-19-38(32(41)29(23)35-26)30(25-18-24(33)10-12-27(25)39)31(40)36-28-4-2-3-15-34-28;1-37-14-11-22(12-15-37)20-5-7-21(8-6-20)23-16-25-27(35-18-23)19-38(32(25)41)30(26-17-24(33)9-10-28(26)39)31(40)36-29-4-2-3-13-34-29;1-36-12-9-18(10-13-36)23-7-5-19(16-24(23)32)25-8-6-21-17-37(29(39)26(21)34-25)27(20-3-2-4-22(31)15-20)28(38)35-30-33-11-14-40-30;1-36-12-9-18(10-13-36)19-5-7-23(24(32)16-19)25-8-6-21-17-37(29(39)26(21)34-25)27(20-3-2-4-22(31)15-20)28(38)35-30-33-11-14-40-30;1-35-10-7-18(8-11-35)24-6-5-20(15-32-24)21-14-23-25(33-16-21)17-36(28(23)38)26(19-3-2-4-22(30)13-19)27(37)34-29-31-9-12-39-29/h2-12,15,18,21,30,39H,13-14,16-17,19H2,1H3,(H,34,36,40);2-10,13,16-18,22,30,39H,11-12,14-15,19H2,1H3,(H,34,36,40);2*2-8,11,14-16,18,27H,9-10,12-13,17H2,1H3,(H,33,35,38);2-6,9,12-16,18,26H,7-8,10-11,17H2,1H3,(H,31,34,37).
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 2765.17 g/mol, XLogP of 26.41, 30 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-[4-(1-methylpiperidin-4-yl)phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide;2-[2-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 167650396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).