6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one

C117H125Cl4F3N22O8 — CID 157068500

About 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one

6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one (PubChem CID 157068500) has the molecular formula C117H125Cl4F3N22O8 and a molecular weight of 2166.24 g/mol. Its IUPAC name is 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one.

Molecular Properties

• Compound Name: 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one
• PubChem CID: 157068500
• Molecular Formula: C117H125Cl4F3N22O8
• Molecular Weight: 2166.24 g/mol
• Exact Mass: 2162.88
• IUPAC Name: 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one
• SMILES: CCCc1c(Cl)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)c(Cl)c12.CCc1c(C)[nH]c2ncc(-c3ccc(C4CCCNC4=O)cc3)cc12.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12.CCc1c(C)[nH]c2ncc(-c3cccc(C4NCCCC4=O)c3)cc12.CN(C)C(=O)c1c(N)ccc(-c2cnc3[nH]c(Cl)c(CCO)c3c2Cl)c1F.COCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12
• InChI: InChI=1S/2C21H23N3O.C19H20Cl2N4O.C19H21FN4O2.C19H21FN4O.C18H17Cl2FN4O2/c1-3-17-13(2)24-21-18(17)11-16(12-23-21)14-6-4-7-15(10-14)20-19(25)8-5-9-22-20;1-3-17-13(2)24-20-19(17)11-16(12-23-20)14-6-8-15(9-7-14)18-5-4-10-22-21(18)25;1-4-5-11-15-16(20)13(9-23-18(15)24-17(11)21)10-6-7-14(22)12(8-10)19(26)25(2)3;1-10-14(9-26-4)13-7-11(8-22-18(13)23-10)12-5-6-15(21)16(17(12)20)19(25)24(2)3;1-5-12-10(2)23-18-14(12)8-11(9-22-18)13-6-7-15(21)16(17(13)20)19(25)24(3)4;1-25(2)18(27)13-11(22)4-3-8(15(13)21)10-7-23-17-12(14(10)19)9(5-6-26)16(20)24-17/h4,6-7,10-12,20,22H,3,5,8-9H2,1-2H3,(H,23,24);6-9,11-12,18H,3-5,10H2,1-2H3,(H,22,25)(H,23,24);6-9H,4-5,22H2,1-3H3,(H,23,24);5-8H,9,21H2,1-4H3,(H,22,23);6-9H,5,21H2,1-4H3,(H,22,23);3-4,7,26H,5-6,22H2,1-2H3,(H,23,24)
• InChIKey: ACDRQRXTMXHKQY-UHFFFAOYSA-N
• XLogP: 23.09
• TPSA: 445.06 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.24
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one?

The IUPAC name of 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one (CID 157068500) is 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one.

What is the SMILES notation for 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one?

The canonical SMILES for 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one is CCCc1c(Cl)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)c(Cl)c12.CCc1c(C)[nH]c2ncc(-c3ccc(C4CCCNC4=O)cc3)cc12.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12.CCc1c(C)[nH]c2ncc(-c3cccc(C4NCCCC4=O)c3)cc12.CN(C)C(=O)c1c(N)ccc(-c2cnc3[nH]c(Cl)c(CCO)c3c2Cl)c1F.COCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12.

What is the InChIKey of 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one?

The InChIKey is ACDRQRXTMXHKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N3O.C19H20Cl2N4O.C19H21FN4O2.C19H21FN4O.C18H17Cl2FN4O2/c1-3-17-13(2)24-21-18(17)11-16(12-23-21)14-6-4-7-15(10-14)20-19(25)8-5-9-22-20;1-3-17-13(2)24-20-19(17)11-16(12-23-20)14-6-8-15(9-7-14)18-5-4-10-22-21(18)25;1-4-5-11-15-16(20)13(9-23-18(15)24-17(11)21)10-6-7-14(22)12(8-10)19(26)25(2)3;1-10-14(9-26-4)13-7-11(8-22-18(13)23-10)12-5-6-15(21)16(17(12)20)19(25)24(2)3;1-5-12-10(2)23-18-14(12)8-11(9-22-18)13-6-7-15(21)16(17(13)20)19(25)24(3)4;1-25(2)18(27)13-11(22)4-3-8(15(13)21)10-7-23-17-12(14(10)19)9(5-6-26)16(20)24-17/h4,6-7,10-12,20,22H,3,5,8-9H2,1-2H3,(H,23,24);6-9,11-12,18H,3-5,10H2,1-2H3,(H,22,25)(H,23,24);6-9H,4-5,22H2,1-3H3,(H,23,24);5-8H,9,21H2,1-4H3,(H,22,23);6-9H,5,21H2,1-4H3,(H,22,23);3-4,7,26H,5-6,22H2,1-2H3,(H,23,24).

What are the key properties of 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one?

6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one has a molecular weight of 2166.24 g/mol, XLogP of 23.09, 21 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one is sourced from PubChem (CID 157068500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).