3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

C26H36N6O — CID 146555154

IUPAC3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C)CC3)n12
InChIInChI=1S/C26H36N6O/c1-19-8-7-13-27-25(19)20-9-5-10-21(30(20)3)26-22(18-33-4)32-23(28-26)11-6-12-24(32)31-16-14-29(2)15-17-31/h6-8,11-13,20-21H,5,9-10,14-18H2,1-4H3/t20-,21+/m0/s1
InChIKeyRLYJBASTSBGFLZ-LEWJYISDSA-N
MW448.62 g/mol
LogP3.83
Rot. Bonds5

About 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 146555154) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID146555154
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC Name3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C)CC3)n12
InChIInChI=1S/C26H36N6O/c1-19-8-7-13-27-25(19)20-9-5-10-21(30(20)3)26-22(18-33-4)32-23(28-26)11-6-12-24(32)31-16-14-29(2)15-17-31/h6-8,11-13,20-21H,5,9-10,14-18H2,1-4H3/t20-,21+/m0/s1
InChIKeyRLYJBASTSBGFLZ-LEWJYISDSA-N
XLogP3.83
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 146555154) is 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is COCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C)CC3)n12.
What is the InChIKey of 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is RLYJBASTSBGFLZ-LEWJYISDSA-N. The full InChI is InChI=1S/C26H36N6O/c1-19-8-7-13-27-25(19)20-9-5-10-21(30(20)3)26-22(18-33-4)32-23(28-26)11-6-12-24(32)31-16-14-29(2)15-17-31/h6-8,11-13,20-21H,5,9-10,14-18H2,1-4H3/t20-,21+/m0/s1.
What are the key properties of 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 448.62 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 146555154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).