[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol

C20H26N6O — CID 134391195

IUPAC[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCc1cn(-c2ccc(-c3cc(C)c(N[C@H](C)C(C)C)nn3)nc2CO)cn1
InChIInChI=1S/C20H26N6O/c1-12(2)15(5)22-20-13(3)8-17(24-25-20)16-6-7-19(18(10-27)23-16)26-9-14(4)21-11-26/h6-9,11-12,15,27H,10H2,1-5H3,(H,22,25)/t15-/m1/s1
InChIKeyGVWHCXDRXKOTAU-OAHLLOKOSA-N
MW366.47 g/mol
LogP3.29
Rot. Bonds6

About [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol

[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (PubChem CID 134391195) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
PubChem CID134391195
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCc1cn(-c2ccc(-c3cc(C)c(N[C@H](C)C(C)C)nn3)nc2CO)cn1
InChIInChI=1S/C20H26N6O/c1-12(2)15(5)22-20-13(3)8-17(24-25-20)16-6-7-19(18(10-27)23-16)26-9-14(4)21-11-26/h6-9,11-12,15,27H,10H2,1-5H3,(H,22,25)/t15-/m1/s1
InChIKeyGVWHCXDRXKOTAU-OAHLLOKOSA-N
XLogP3.29
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (CID 134391195) is [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is Cc1cn(-c2ccc(-c3cc(C)c(N[C@H](C)C(C)C)nn3)nc2CO)cn1.
What is the InChIKey of [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The InChIKey is GVWHCXDRXKOTAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N6O/c1-12(2)15(5)22-20-13(3)8-17(24-25-20)16-6-7-19(18(10-27)23-16)26-9-14(4)21-11-26/h6-9,11-12,15,27H,10H2,1-5H3,(H,22,25)/t15-/m1/s1.
What are the key properties of [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol has a molecular weight of 366.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 134391195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).