2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol

C23H26N6O2 — CID 167504035

About 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol

2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol (PubChem CID 167504035) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol.

Molecular Properties

• Compound Name: 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol
• PubChem CID: 167504035
• Molecular Formula: C23H26N6O2
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.21
• IUPAC Name: 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol
• SMILES: COc1cc(-c2ccc(-c3ccc(N4CC[C@H](NCC5CC5)C4)nn3)c(O)c2)cnn1
• InChI: InChI=1S/C23H26N6O2/c1-31-23-11-17(13-25-28-23)16-4-5-19(21(30)10-16)20-6-7-22(27-26-20)29-9-8-18(14-29)24-12-15-2-3-15/h4-7,10-11,13,15,18,24,30H,2-3,8-9,12,14H2,1H3/t18-/m0/s1
• InChIKey: RDKSQWWOZWNOEE-SFHVURJKSA-N
• XLogP: 2.89
• TPSA: 96.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol?

The IUPAC name of 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol (CID 167504035) is 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol.

What is the SMILES notation for 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol?

The canonical SMILES for 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol is COc1cc(-c2ccc(-c3ccc(N4CC[C@H](NCC5CC5)C4)nn3)c(O)c2)cnn1.

What is the InChIKey of 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol?

The InChIKey is RDKSQWWOZWNOEE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-31-23-11-17(13-25-28-23)16-4-5-19(21(30)10-16)20-6-7-22(27-26-20)29-9-8-18(14-29)24-12-15-2-3-15/h4-7,10-11,13,15,18,24,30H,2-3,8-9,12,14H2,1H3/t18-/m0/s1.

What are the key properties of 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol?

2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol has a molecular weight of 418.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol is sourced from PubChem (CID 167504035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).