[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone

C90H84Cl8F6N12O9 — CID 157187279

About [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone

[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 157187279) has the molecular formula C90H84Cl8F6N12O9 and a molecular weight of 1875.35 g/mol. Its IUPAC name is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 157187279
• Molecular Formula: C90H84Cl8F6N12O9
• Molecular Weight: 1875.35 g/mol
• Exact Mass: 1870.39
• IUPAC Name: [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone
• SMILES: C#Cc1cc2c(cc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n2C)c(C)n1.Cc1nc(C(C)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C.Cn1c(C(=O)c2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2ncc(C(C)(F)F)cc21.Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2cnc(C(C)(F)F)cc21
• InChI: InChI=1S/C23H23Cl2F2N3O2.C23H21Cl2N3O2.C22H19Cl2F2N3O3.C22H21Cl2F2N3O2/c1-13-16-10-14(29(3)19(16)12-20(28-13)23(2,26)27)11-17-18(24)5-4-15(21(17)25)22(31)30-6-8-32-9-7-30;1-4-15-11-21-18(14(2)26-15)12-16(27(21)3)13-19-20(24)6-5-17(22(19)25)23(29)28-7-9-30-10-8-28;1-22(25,26)12-9-16-15(27-11-12)10-17(28(16)2)20(30)18-14(23)4-3-13(19(18)24)21(31)29-5-7-32-8-6-29;1-22(25,26)19-11-18-13(12-27-19)9-14(28(18)2)10-16-17(23)4-3-15(20(16)24)21(30)29-5-7-31-8-6-29/h4-5,10,12H,6-9,11H2,1-3H3;1,5-6,11-12H,7-10,13H2,2-3H3;3-4,9-11H,5-8H2,1-2H3;3-4,9,11-12H,5-8,10H2,1-2H3
• InChIKey: APGPWDGZEVWTCO-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 206.51 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1875.35
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone (CID 157187279) is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone is C#Cc1cc2c(cc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n2C)c(C)n1.Cc1nc(C(C)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C.Cn1c(C(=O)c2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2ncc(C(C)(F)F)cc21.Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2cnc(C(C)(F)F)cc21.

What is the InChIKey of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone?

The InChIKey is APGPWDGZEVWTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2F2N3O2.C23H21Cl2N3O2.C22H19Cl2F2N3O3.C22H21Cl2F2N3O2/c1-13-16-10-14(29(3)19(16)12-20(28-13)23(2,26)27)11-17-18(24)5-4-15(21(17)25)22(31)30-6-8-32-9-7-30;1-4-15-11-21-18(14(2)26-15)12-16(27(21)3)13-19-20(24)6-5-17(22(19)25)23(29)28-7-9-30-10-8-28;1-22(25,26)12-9-16-15(27-11-12)10-17(28(16)2)20(30)18-14(23)4-3-13(19(18)24)21(31)29-5-7-32-8-6-29;1-22(25,26)19-11-18-13(12-27-19)9-14(28(18)2)10-16-17(23)4-3-15(20(16)24)21(30)29-5-7-31-8-6-29/h4-5,10,12H,6-9,11H2,1-3H3;1,5-6,11-12H,7-10,13H2,2-3H3;3-4,9-11H,5-8H2,1-2H3;3-4,9,11-12H,5-8,10H2,1-2H3.

What are the key properties of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone?

[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 1875.35 g/mol, XLogP of 19.35, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 157187279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).