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

C24H26N6O — CID 134391225

IUPAC[3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCc1ccc([C@H](C)N(C)c2ccc(-c3ccc(-n4cnc(C)c4)c(CO)n3)nn2)cc1
InChIInChI=1S/C24H26N6O/c1-16-5-7-19(8-6-16)18(3)29(4)24-12-10-21(27-28-24)20-9-11-23(22(14-31)26-20)30-13-17(2)25-15-30/h5-13,15,18,31H,14H2,1-4H3/t18-/m0/s1
InChIKeyHOTKDYQNRXSHJJ-SFHVURJKSA-N
MW414.51 g/mol
LogP4.03
Rot. Bonds6

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

[3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (PubChem CID 134391225) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is [3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
PubChem CID134391225
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name[3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCc1ccc([C@H](C)N(C)c2ccc(-c3ccc(-n4cnc(C)c4)c(CO)n3)nn2)cc1
InChIInChI=1S/C24H26N6O/c1-16-5-7-19(8-6-16)18(3)29(4)24-12-10-21(27-28-24)20-9-11-23(22(14-31)26-20)30-13-17(2)25-15-30/h5-13,15,18,31H,14H2,1-4H3/t18-/m0/s1
InChIKeyHOTKDYQNRXSHJJ-SFHVURJKSA-N
XLogP4.03
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (CID 134391225) is [3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is Cc1ccc([C@H](C)N(C)c2ccc(-c3ccc(-n4cnc(C)c4)c(CO)n3)nn2)cc1.
What is the InChIKey of [3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The InChIKey is HOTKDYQNRXSHJJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N6O/c1-16-5-7-19(8-6-16)18(3)29(4)24-12-10-21(27-28-24)20-9-11-23(22(14-31)26-20)30-13-17(2)25-15-30/h5-13,15,18,31H,14H2,1-4H3/t18-/m0/s1.
What are the key properties of [3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
[3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol has a molecular weight of 414.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 134391225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).