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

C20H25N5O — CID 156621895

IUPAC[5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cccnc1[C@H]1CCC[C@@H](c2nc3cccc(N)n3c2CO)N1C
InChIInChI=1S/C20H25N5O/c1-13-6-5-11-22-19(13)14-7-3-8-15(24(14)2)20-16(12-26)25-17(21)9-4-10-18(25)23-20/h4-6,9-11,14-15,26H,3,7-8,12,21H2,1-2H3/t14-,15+/m1/s1
InChIKeyZGNSIJHHOGWDBT-CABCVRRESA-N
MW351.45 g/mol
LogP3.01
Rot. Bonds3

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

[5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 156621895) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID156621895
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cccnc1[C@H]1CCC[C@@H](c2nc3cccc(N)n3c2CO)N1C
InChIInChI=1S/C20H25N5O/c1-13-6-5-11-22-19(13)14-7-3-8-15(24(14)2)20-16(12-26)25-17(21)9-4-10-18(25)23-20/h4-6,9-11,14-15,26H,3,7-8,12,21H2,1-2H3/t14-,15+/m1/s1
InChIKeyZGNSIJHHOGWDBT-CABCVRRESA-N
XLogP3.01
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (CID 156621895) is [5-amino-2-[(2S,6R)-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-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is Cc1cccnc1[C@H]1CCC[C@@H](c2nc3cccc(N)n3c2CO)N1C.
What is the InChIKey of [5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is ZGNSIJHHOGWDBT-CABCVRRESA-N. The full InChI is InChI=1S/C20H25N5O/c1-13-6-5-11-22-19(13)14-7-3-8-15(24(14)2)20-16(12-26)25-17(21)9-4-10-18(25)23-20/h4-6,9-11,14-15,26H,3,7-8,12,21H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
[5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 351.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 156621895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).