2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol

C24H26FN5O2 — CID 167503547

About 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol

2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol (PubChem CID 167503547) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol.

Molecular Properties

• Compound Name: 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol
• PubChem CID: 167503547
• Molecular Formula: C24H26FN5O2
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.21
• IUPAC Name: 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol
• SMILES: COc1cncc(-c2cc(O)c(-c3ccc(N4CC[C@@H](NC5CCC5)C4)nn3)cc2F)c1
• InChI: InChI=1S/C24H26FN5O2/c1-32-18-9-15(12-26-13-18)19-11-23(31)20(10-21(19)25)22-5-6-24(29-28-22)30-8-7-17(14-30)27-16-3-2-4-16/h5-6,9-13,16-17,27,31H,2-4,7-8,14H2,1H3/t17-/m1/s1
• InChIKey: IDLCHZXTPSBFIT-QGZVFWFLSA-N
• XLogP: 3.78
• TPSA: 83.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol?

The IUPAC name of 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol (CID 167503547) is 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol.

What is the SMILES notation for 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol?

The canonical SMILES for 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol is COc1cncc(-c2cc(O)c(-c3ccc(N4CC[C@@H](NC5CCC5)C4)nn3)cc2F)c1.

What is the InChIKey of 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol?

The InChIKey is IDLCHZXTPSBFIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-32-18-9-15(12-26-13-18)19-11-23(31)20(10-21(19)25)22-5-6-24(29-28-22)30-8-7-17(14-30)27-16-3-2-4-16/h5-6,9-13,16-17,27,31H,2-4,7-8,14H2,1H3/t17-/m1/s1.

What are the key properties of 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol?

2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol has a molecular weight of 435.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methoxy-3-pyridinyl)phenol is sourced from PubChem (CID 167503547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).