3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane

C36H36Cl2N8O4 — CID 159960410

About 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane

3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane (PubChem CID 159960410) has the molecular formula C36H36Cl2N8O4 and a molecular weight of 715.64 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane.

Molecular Properties

• Compound Name: 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane
• PubChem CID: 159960410
• Molecular Formula: C36H36Cl2N8O4
• Molecular Weight: 715.64 g/mol
• Exact Mass: 714.22
• IUPAC Name: 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane
• SMILES: C.COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2C.COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3n1C)cn2C
• InChI: InChI=1S/C18H17ClN4O2.C17H15ClN4O2.CH4/c1-22-9-11(16-14(22)8-15(24-3)18(21-16)25-4)13-7-10-12(19)5-6-20-17(10)23(13)2;1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3;/h5-9H,1-4H3;4-8H,1-3H3,(H,19,20);1H4
• InChIKey: ODGFLAIDPSOHRH-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 119.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	715.64
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane?

The IUPAC name of 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane (CID 159960410) is 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane.

What is the SMILES notation for 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane?

The canonical SMILES for 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane is C.COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2C.COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3n1C)cn2C.

What is the InChIKey of 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane?

The InChIKey is ODGFLAIDPSOHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2.C17H15ClN4O2.CH4/c1-22-9-11(16-14(22)8-15(24-3)18(21-16)25-4)13-7-10-12(19)5-6-20-17(10)23(13)2;1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3;/h5-9H,1-4H3;4-8H,1-3H3,(H,19,20);1H4.

What are the key properties of 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane?

3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane has a molecular weight of 715.64 g/mol, XLogP of 8.22, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;methane is sourced from PubChem (CID 159960410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).