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

C28H31N5O3 — CID 168895364

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

2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol (PubChem CID 168895364) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol.

Molecular Properties

• Compound Name: 2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol
• PubChem CID: 168895364
• Molecular Formula: C28H31N5O3
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.24
• IUPAC Name: 2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol
• SMILES: CCOC1CC(N2CC(c3ccc(-c4ccc(-c5cc(OC)c6nn(C)cc6c5)cc4O)nn3)C2)C1
• InChI: InChI=1S/C28H31N5O3/c1-4-36-22-12-21(13-22)33-15-20(16-33)24-7-8-25(30-29-24)23-6-5-17(10-26(23)34)18-9-19-14-32(2)31-28(19)27(11-18)35-3/h5-11,14,20-22,34H,4,12-13,15-16H2,1-3H3
• InChIKey: ABESWIBLDSSFST-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 85.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol (CID 168895364) is 2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol.

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

The canonical SMILES for 2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol is CCOC1CC(N2CC(c3ccc(-c4ccc(-c5cc(OC)c6nn(C)cc6c5)cc4O)nn3)C2)C1.

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

The InChIKey is ABESWIBLDSSFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-4-36-22-12-21(13-22)33-15-20(16-33)24-7-8-25(30-29-24)23-6-5-17(10-26(23)34)18-9-19-14-32(2)31-28(19)27(11-18)35-3/h5-11,14,20-22,34H,4,12-13,15-16H2,1-3H3.

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

2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol has a molecular weight of 485.59 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol is sourced from PubChem (CID 168895364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).