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

C28H34N6O2 — CID 134391234

IUPAC[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCC[C@@H](c1ccc(C)cc1)N(CCOC)c1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C
InChIInChI=1S/C28H34N6O2/c1-6-26(22-9-7-19(2)8-10-22)34(13-14-36-5)28-20(3)15-24(31-32-28)23-11-12-27(25(17-35)30-23)33-16-21(4)29-18-33/h7-12,15-16,18,26,35H,6,13-14,17H2,1-5H3/t26-/m0/s1
InChIKeyPMZMXCDYBWLANR-SANMLTNESA-N
MW486.62 g/mol
LogP4.75
Rot. Bonds10

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

[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 134391234) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is [6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
PubChem CID134391234
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCC[C@@H](c1ccc(C)cc1)N(CCOC)c1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C
InChIInChI=1S/C28H34N6O2/c1-6-26(22-9-7-19(2)8-10-22)34(13-14-36-5)28-20(3)15-24(31-32-28)23-11-12-27(25(17-35)30-23)33-16-21(4)29-18-33/h7-12,15-16,18,26,35H,6,13-14,17H2,1-5H3/t26-/m0/s1
InChIKeyPMZMXCDYBWLANR-SANMLTNESA-N
XLogP4.75
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 134391234) is [6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is CC[C@@H](c1ccc(C)cc1)N(CCOC)c1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.
What is the InChIKey of [6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is PMZMXCDYBWLANR-SANMLTNESA-N. The full InChI is InChI=1S/C28H34N6O2/c1-6-26(22-9-7-19(2)8-10-22)34(13-14-36-5)28-20(3)15-24(31-32-28)23-11-12-27(25(17-35)30-23)33-16-21(4)29-18-33/h7-12,15-16,18,26,35H,6,13-14,17H2,1-5H3/t26-/m0/s1.
What are the key properties of [6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 486.62 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134391234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).