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

C19H24N6O2 — CID 134391295

IUPAC[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCOC[C@H](C)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C
InChIInChI=1S/C19H24N6O2/c1-12-7-16(23-24-19(12)21-14(3)10-27-4)15-5-6-18(17(9-26)22-15)25-8-13(2)20-11-25/h5-8,11,14,26H,9-10H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyGGSONOKVSSFFIO-AWEZNQCLSA-N
MW368.44 g/mol
LogP2.28
Rot. Bonds7

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

[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 134391295) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
PubChem CID134391295
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCOC[C@H](C)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C
InChIInChI=1S/C19H24N6O2/c1-12-7-16(23-24-19(12)21-14(3)10-27-4)15-5-6-18(17(9-26)22-15)25-8-13(2)20-11-25/h5-8,11,14,26H,9-10H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyGGSONOKVSSFFIO-AWEZNQCLSA-N
XLogP2.28
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 134391295) is [6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is COC[C@H](C)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.
What is the InChIKey of [6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is GGSONOKVSSFFIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-7-16(23-24-19(12)21-14(3)10-27-4)15-5-6-18(17(9-26)22-15)25-8-13(2)20-11-25/h5-8,11,14,26H,9-10H2,1-4H3,(H,21,24)/t14-/m0/s1.
What are the key properties of [6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 368.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134391295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).