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

C30H32N8O3 — CID 163273719

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

azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone (PubChem CID 163273719) has the molecular formula C30H32N8O3 and a molecular weight of 552.64 g/mol. Its IUPAC name is azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone
• PubChem CID: 163273719
• Molecular Formula: C30H32N8O3
• Molecular Weight: 552.64 g/mol
• Exact Mass: 552.26
• IUPAC Name: azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone
• SMILES: COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCOCC4)n2)c(C)c(C(=O)N2CCC2)n3C)c(C)n1
• InChI: InChI=1S/C30H32N8O3/c1-18-27-24(35(3)28(18)30(39)37-8-5-9-37)15-26(34-29(27)36-10-12-41-13-11-36)38-23-14-22(33-19(2)20(23)17-32-38)21-16-31-7-6-25(21)40-4/h6-7,14-17H,5,8-13H2,1-4H3
• InChIKey: BSSMQRNFWDCFEZ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 103.43 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.64
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone (CID 163273719) is azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone.

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

The canonical SMILES for azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone is COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCOCC4)n2)c(C)c(C(=O)N2CCC2)n3C)c(C)n1.

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

The InChIKey is BSSMQRNFWDCFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O3/c1-18-27-24(35(3)28(18)30(39)37-8-5-9-37)15-26(34-29(27)36-10-12-41-13-11-36)38-23-14-22(33-19(2)20(23)17-32-38)21-16-31-7-6-25(21)40-4/h6-7,14-17H,5,8-13H2,1-4H3.

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

azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone has a molecular weight of 552.64 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone is sourced from PubChem (CID 163273719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).