6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid

C27H27N7O4 — CID 163273791

About 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid

6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 163273791) has the molecular formula C27H27N7O4 and a molecular weight of 513.56 g/mol. Its IUPAC name is 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid
• PubChem CID: 163273791
• Molecular Formula: C27H27N7O4
• Molecular Weight: 513.56 g/mol
• Exact Mass: 513.21
• IUPAC Name: 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid
• SMILES: COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCOCC4)n2)c(C)c(C(=O)O)n3C)c(C)n1
• InChI: InChI=1S/C27H27N7O4/c1-15-24-21(32(3)25(15)27(35)36)12-23(31-26(24)33-7-9-38-10-8-33)34-20-11-19(30-16(2)17(20)14-29-34)18-13-28-6-5-22(18)37-4/h5-6,11-14H,7-10H2,1-4H3,(H,35,36)
• InChIKey: IEJPJRZHLMKWLV-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 120.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.56
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid?

The IUPAC name of 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 163273791) is 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid is COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCOCC4)n2)c(C)c(C(=O)O)n3C)c(C)n1.

What is the InChIKey of 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid?

The InChIKey is IEJPJRZHLMKWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O4/c1-15-24-21(32(3)25(15)27(35)36)12-23(31-26(24)33-7-9-38-10-8-33)34-20-11-19(30-16(2)17(20)14-29-34)18-13-28-6-5-22(18)37-4/h5-6,11-14H,7-10H2,1-4H3,(H,35,36).

What are the key properties of 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid?

6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 513.56 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 163273791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).