2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol

C29H32N6O2 — CID 168895512

About 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol

2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol (PubChem CID 168895512) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol.

Molecular Properties

• Compound Name: 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol
• PubChem CID: 168895512
• Molecular Formula: C29H32N6O2
• Molecular Weight: 496.62 g/mol
• Exact Mass: 496.26
• IUPAC Name: 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol
• SMILES: COc1cc(-c2ccc(-c3ccc(C4CN(C5CCN(C6CC6)C5)C4)nn3)c(O)c2)cc2cn(C)nc12
• InChI: InChI=1S/C29H32N6O2/c1-33-14-20-11-19(13-28(37-2)29(20)32-33)18-3-6-24(27(36)12-18)26-8-7-25(30-31-26)21-15-35(16-21)23-9-10-34(17-23)22-4-5-22/h3,6-8,11-14,21-23,36H,4-5,9-10,15-17H2,1-2H3
• InChIKey: XXUFRABPWRDFFS-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 79.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.62
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol?

The IUPAC name of 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol (CID 168895512) is 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol.

What is the SMILES notation for 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol?

The canonical SMILES for 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol is COc1cc(-c2ccc(-c3ccc(C4CN(C5CCN(C6CC6)C5)C4)nn3)c(O)c2)cc2cn(C)nc12.

What is the InChIKey of 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol?

The InChIKey is XXUFRABPWRDFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-33-14-20-11-19(13-28(37-2)29(20)32-33)18-3-6-24(27(36)12-18)26-8-7-25(30-31-26)21-15-35(16-21)23-9-10-34(17-23)22-4-5-22/h3,6-8,11-14,21-23,36H,4-5,9-10,15-17H2,1-2H3.

What are the key properties of 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol?

2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol has a molecular weight of 496.62 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol is sourced from PubChem (CID 168895512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).