[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol

C13H18N4O — CID 58985317

IUPAC[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCN1CCN(c2cccc3nc(CO)cn23)CC1
InChIInChI=1S/C13H18N4O/c1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13/h2-4,9,18H,5-8,10H2,1H3
InChIKeyNDLWKLMYOAVWPJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.58
Rot. Bonds2

About [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol

[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 58985317) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol
PubChem CID58985317
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCN1CCN(c2cccc3nc(CO)cn23)CC1
InChIInChI=1S/C13H18N4O/c1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13/h2-4,9,18H,5-8,10H2,1H3
InChIKeyNDLWKLMYOAVWPJ-UHFFFAOYSA-N
XLogP0.58
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(4-phenylphenyl)methanamine
CID 143198338
[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 143196391
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid
CID 71742363
(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one
CID 145424612
N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-pyridin-2-ylmethanamine;5,6,7,8-tetrahydroquinoline
CID 143208914
(5-fluoroimidazo[1,2-a]pyridin-2-yl)methanol
CID 53485251
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 141140259
4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazine-1-carboxylic acid
CID 68647071
2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424641
2-[6-(5-methyl-3,4-dihydropyridin-6-yl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424664
4-[2-[1-(cyclopropylmethyl)-4-methylpiperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine
CID 131668896
2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424524

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol?
The IUPAC name of [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol (CID 58985317) is [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol.
What is the SMILES notation for [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol?
The canonical SMILES for [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol is CN1CCN(c2cccc3nc(CO)cn23)CC1.
What is the InChIKey of [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol?
The InChIKey is NDLWKLMYOAVWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13/h2-4,9,18H,5-8,10H2,1H3.
What are the key properties of [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol?
[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol is sourced from PubChem (CID 58985317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).