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

C28H31N5O2 — CID 168895661

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

5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol (PubChem CID 168895661) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol.

Molecular Properties

• Compound Name: 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol
• PubChem CID: 168895661
• Molecular Formula: C28H31N5O2
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.25
• IUPAC Name: 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol
• SMILES: COc1cc(-c2ccc(-c3ccc(C4CN(C5CCC(C)C5)C4)nn3)c(O)c2)cc2cn(C)nc12
• InChI: InChI=1S/C28H31N5O2/c1-17-4-6-22(10-17)33-15-21(16-33)24-8-9-25(30-29-24)23-7-5-18(12-26(23)34)19-11-20-14-32(2)31-28(20)27(13-19)35-3/h5,7-9,11-14,17,21-22,34H,4,6,10,15-16H2,1-3H3
• InChIKey: SWSLKYPDIKABHQ-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 76.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol (CID 168895661) is 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol.

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

The canonical SMILES for 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol is COc1cc(-c2ccc(-c3ccc(C4CN(C5CCC(C)C5)C4)nn3)c(O)c2)cc2cn(C)nc12.

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

The InChIKey is SWSLKYPDIKABHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-17-4-6-22(10-17)33-15-21(16-33)24-8-9-25(30-29-24)23-7-5-18(12-26(23)34)19-11-20-14-32(2)31-28(20)27(13-19)35-3/h5,7-9,11-14,17,21-22,34H,4,6,10,15-16H2,1-3H3.

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

5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol has a molecular weight of 469.59 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 168895661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).