[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol

C26H36N6O — CID 145424591

IUPAC[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C)N4C)c(CO)n23)CC1
InChIInChI=1S/C26H36N6O/c1-4-30-14-16-31(17-15-30)24-12-6-11-23-28-26(22(18-33)32(23)24)21-10-5-9-20(29(21)3)25-19(2)8-7-13-27-25/h6-8,11-13,20-21,33H,4-5,9-10,14-18H2,1-3H3/t20-,21+/m0/s1
InChIKeyVBEXXSGYSJELPN-LEWJYISDSA-N
MW448.62 g/mol
LogP3.57
Rot. Bonds5

About [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol

[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 145424591) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID145424591
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC Name[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C)N4C)c(CO)n23)CC1
InChIInChI=1S/C26H36N6O/c1-4-30-14-16-31(17-15-30)24-12-6-11-23-28-26(22(18-33)32(23)24)21-10-5-9-20(29(21)3)25-19(2)8-7-13-27-25/h6-8,11-13,20-21,33H,4-5,9-10,14-18H2,1-3H3/t20-,21+/m0/s1
InChIKeyVBEXXSGYSJELPN-LEWJYISDSA-N
XLogP3.57
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (CID 145424591) is [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is CCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C)N4C)c(CO)n23)CC1.
What is the InChIKey of [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is VBEXXSGYSJELPN-LEWJYISDSA-N. The full InChI is InChI=1S/C26H36N6O/c1-4-30-14-16-31(17-15-30)24-12-6-11-23-28-26(22(18-33)32(23)24)21-10-5-9-20(29(21)3)25-19(2)8-7-13-27-25/h6-8,11-13,20-21,33H,4-5,9-10,14-18H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 448.62 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 145424591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).