[2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

C41H36Cl5F3N6O4 — CID 159261623

About [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

[2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 159261623) has the molecular formula C41H36Cl5F3N6O4 and a molecular weight of 911.04 g/mol. Its IUPAC name is [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 159261623
• Molecular Formula: C41H36Cl5F3N6O4
• Molecular Weight: 911.04 g/mol
• Exact Mass: 908.12
• IUPAC Name: [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
• SMILES: Cc1cc(C(F)(F)F)nc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12.Cc1cc(Cl)nc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12
• InChI: InChI=1S/C21H18Cl2F3N3O2.C20H18Cl3N3O2/c1-11-8-17(21(24,25)26)28-19-14(11)9-12(27-19)10-15-16(22)3-2-13(18(15)23)20(30)29-4-6-31-7-5-29;1-11-8-17(22)25-19-14(11)9-12(24-19)10-15-16(21)3-2-13(18(15)23)20(27)26-4-6-28-7-5-26/h2-3,8-9H,4-7,10H2,1H3,(H,27,28);2-3,8-9H,4-7,10H2,1H3,(H,24,25)
• InChIKey: KWOURRBLNWRGGG-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 116.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.04
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (CID 159261623) is [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is Cc1cc(C(F)(F)F)nc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12.Cc1cc(Cl)nc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12.

What is the InChIKey of [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?

The InChIKey is KWOURRBLNWRGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2F3N3O2.C20H18Cl3N3O2/c1-11-8-17(21(24,25)26)28-19-14(11)9-12(27-19)10-15-16(22)3-2-13(18(15)23)20(30)29-4-6-31-7-5-29;1-11-8-17(22)25-19-14(11)9-12(24-19)10-15-16(21)3-2-13(18(15)23)20(27)26-4-6-28-7-5-26/h2-3,8-9H,4-7,10H2,1H3,(H,27,28);2-3,8-9H,4-7,10H2,1H3,(H,24,25).

What are the key properties of [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?

[2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 911.04 g/mol, XLogP of 10.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 159261623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).