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

C24H26N6O2 — CID 134391155

IUPAC[6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCOc1cc(-c2ccc(-n3cnc(C)c3)c(CO)n2)nnc1N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C24H26N6O2/c1-15-5-7-18(8-6-15)17(3)26-24-23(32-4)11-20(28-29-24)19-9-10-22(21(13-31)27-19)30-12-16(2)25-14-30/h5-12,14,17,31H,13H2,1-4H3,(H,26,29)/t17-/m0/s1
InChIKeyFGOPQBLARIIBLM-KRWDZBQOSA-N
MW430.51 g/mol
LogP4.02
Rot. Bonds7

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

[6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 134391155) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
PubChem CID134391155
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name[6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCOc1cc(-c2ccc(-n3cnc(C)c3)c(CO)n2)nnc1N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C24H26N6O2/c1-15-5-7-18(8-6-15)17(3)26-24-23(32-4)11-20(28-29-24)19-9-10-22(21(13-31)27-19)30-12-16(2)25-14-30/h5-12,14,17,31H,13H2,1-4H3,(H,26,29)/t17-/m0/s1
InChIKeyFGOPQBLARIIBLM-KRWDZBQOSA-N
XLogP4.02
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 134391155) is [6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is COc1cc(-c2ccc(-n3cnc(C)c3)c(CO)n2)nnc1N[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of [6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is FGOPQBLARIIBLM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15-5-7-18(8-6-15)17(3)26-24-23(32-4)11-20(28-29-24)19-9-10-22(21(13-31)27-19)30-12-16(2)25-14-30/h5-12,14,17,31H,13H2,1-4H3,(H,26,29)/t17-/m0/s1.
What are the key properties of [6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
[6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 430.51 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-methoxy-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134391155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).