6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine

C32H31N5OS — CID 126569634

About 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine

6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine (PubChem CID 126569634) has the molecular formula C32H31N5OS and a molecular weight of 533.70 g/mol. Its IUPAC name is 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine
• PubChem CID: 126569634
• Molecular Formula: C32H31N5OS
• Molecular Weight: 533.70 g/mol
• Exact Mass: 533.22
• IUPAC Name: 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine
• SMILES: Cc1ccc(-c2nccc3[nH]c(C4=CC(C)Nc5ncc(-c6cncc(OC7CCCCC7)c6)cc54)cc23)s1
• InChI: InChI=1S/C32H31N5OS/c1-19-12-25(29-15-27-28(37-29)10-11-34-31(27)30-9-8-20(2)39-30)26-14-22(17-35-32(26)36-19)21-13-24(18-33-16-21)38-23-6-4-3-5-7-23/h8-19,23,37H,3-7H2,1-2H3,(H,35,36)
• InChIKey: XAYWVBQSFXXDIK-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 75.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.70
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine?

The IUPAC name of 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine (CID 126569634) is 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine.

What is the SMILES notation for 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine?

The canonical SMILES for 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine is Cc1ccc(-c2nccc3[nH]c(C4=CC(C)Nc5ncc(-c6cncc(OC7CCCCC7)c6)cc54)cc23)s1.

What is the InChIKey of 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine?

The InChIKey is XAYWVBQSFXXDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5OS/c1-19-12-25(29-15-27-28(37-29)10-11-34-31(27)30-9-8-20(2)39-30)26-14-22(17-35-32(26)36-19)21-13-24(18-33-16-21)38-23-6-4-3-5-7-23/h8-19,23,37H,3-7H2,1-2H3,(H,35,36).

What are the key properties of 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine?

6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine has a molecular weight of 533.70 g/mol, XLogP of 8.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyclohexyloxy-3-pyridinyl)-2-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine is sourced from PubChem (CID 126569634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).