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

C₂₄H₂₅FN₆O — CID 134391297

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

[6-[6-[[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 134391297) has the molecular formula C₂₄H₂₅FN₆O and a molecular weight of 432.50 g/mol. Its IUPAC name is [6-[6-[[(1S)-1-(4-fluoro-2-methylphenyl)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-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
• PubChem CID: 134391297
• Molecular Formula: C₂₄H₂₅FN₆O
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.21
• IUPAC Name: [6-[6-[[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
• SMILES: Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4ccc(F)cc4C)nn3)nc2CO)cn1
• InChI: InChI=1S/C24H25FN6O/c1-14-9-18(25)5-6-19(14)17(4)27-24-15(2)10-21(29-30-24)20-7-8-23(22(12-32)28-20)31-11-16(3)26-13-31/h5-11,13,17,32H,12H2,1-4H3,(H,27,30)/t17-/m0/s1
• InChIKey: RDVZNXDYBUZAFT-KRWDZBQOSA-N
• XLogP: 4.45
• TPSA: 88.75 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	432.50
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[6-[[(1S)-1-(4-fluoro-2-methylphenyl)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-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 134391297) is [6-[6-[[(1S)-1-(4-fluoro-2-methylphenyl)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-methylphenyl)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-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4ccc(F)cc4C)nn3)nc2CO)cn1.

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

The InChIKey is RDVZNXDYBUZAFT-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-14-9-18(25)5-6-19(14)17(4)27-24-15(2)10-21(29-30-24)20-7-8-23(22(12-32)28-20)31-11-16(3)26-13-31/h5-11,13,17,32H,12H2,1-4H3,(H,27,30)/t17-/m0/s1.

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

[6-[6-[[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 432.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[6-[[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134391297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134391297 — identifiers, structure, computed properties (public domain)

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