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

C27H38N6O — CID 146555153

IUPAC3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C)CC3)n12
InChIInChI=1S/C27H38N6O/c1-5-34-19-23-27(22-11-6-10-21(31(22)4)26-20(2)9-8-14-28-26)29-24-12-7-13-25(33(23)24)32-17-15-30(3)16-18-32/h7-9,12-14,21-22H,5-6,10-11,15-19H2,1-4H3/t21-,22+/m0/s1
InChIKeyOMFIFWFKBLJRQS-FCHUYYIVSA-N
MW462.64 g/mol
LogP4.22
Rot. Bonds6

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

3-(ethoxymethyl)-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 146555153) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is 3-(ethoxymethyl)-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-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID146555153
Molecular FormulaC27H38N6O
Molecular Weight462.64 g/mol
Exact Mass462.31
IUPAC Name3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C)CC3)n12
InChIInChI=1S/C27H38N6O/c1-5-34-19-23-27(22-11-6-10-21(31(22)4)26-20(2)9-8-14-28-26)29-24-12-7-13-25(33(23)24)32-17-15-30(3)16-18-32/h7-9,12-14,21-22H,5-6,10-11,15-19H2,1-4H3/t21-,22+/m0/s1
InChIKeyOMFIFWFKBLJRQS-FCHUYYIVSA-N
XLogP4.22
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(ethoxymethyl)-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-(ethoxymethyl)-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-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 146555153) is 3-(ethoxymethyl)-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-(ethoxymethyl)-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-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is CCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C)CC3)n12.
What is the InChIKey of 3-(ethoxymethyl)-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 OMFIFWFKBLJRQS-FCHUYYIVSA-N. The full InChI is InChI=1S/C27H38N6O/c1-5-34-19-23-27(22-11-6-10-21(31(22)4)26-20(2)9-8-14-28-26)29-24-12-7-13-25(33(23)24)32-17-15-30(3)16-18-32/h7-9,12-14,21-22H,5-6,10-11,15-19H2,1-4H3/t21-,22+/m0/s1.
What are the key properties of 3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
3-(ethoxymethyl)-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 462.64 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-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 146555153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).