[6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

C24H25FN6O2 — CID 134391314

About [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

[6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 134391314) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
• PubChem CID: 134391314
• Molecular Formula: C24H25FN6O2
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.20
• IUPAC Name: [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
• SMILES: COc1cc(F)ccc1[C@H](C)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C
• InChI: InChI=1S/C24H25FN6O2/c1-14-9-20(19-7-8-22(21(12-32)28-19)31-11-15(2)26-13-31)29-30-24(14)27-16(3)18-6-5-17(25)10-23(18)33-4/h5-11,13,16,32H,12H2,1-4H3,(H,27,30)/t16-/m0/s1
• InChIKey: GVMDOZWMVLLSCM-INIZCTEOSA-N
• XLogP: 4.15
• TPSA: 97.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

The IUPAC name of [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 134391314) is [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

What is the SMILES notation for [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

The canonical SMILES for [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is COc1cc(F)ccc1[C@H](C)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.

What is the InChIKey of [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

The InChIKey is GVMDOZWMVLLSCM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-14-9-20(19-7-8-22(21(12-32)28-19)31-11-15(2)26-13-31)29-30-24(14)27-16(3)18-6-5-17(25)10-23(18)33-4/h5-11,13,16,32H,12H2,1-4H3,(H,27,30)/t16-/m0/s1.

What are the key properties of [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

[6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 448.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134391314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).