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

C28H40N6O — CID 145424781

IUPAC3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(CC)CC3)n12
InChIInChI=1S/C28H40N6O/c1-5-32-16-18-33(19-17-32)26-14-8-13-25-30-28(24(34(25)26)20-35-6-2)23-12-7-11-22(31(23)4)27-21(3)10-9-15-29-27/h8-10,13-15,22-23H,5-7,11-12,16-20H2,1-4H3/t22-,23+/m0/s1
InChIKeyOODRZCGFUYCDGH-XZOQPEGZSA-N
MW476.67 g/mol
LogP4.61
Rot. Bonds7

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

3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 145424781) has the molecular formula C28H40N6O and a molecular weight of 476.67 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID145424781
Molecular FormulaC28H40N6O
Molecular Weight476.67 g/mol
Exact Mass476.33
IUPAC Name3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(CC)CC3)n12
InChIInChI=1S/C28H40N6O/c1-5-32-16-18-33(19-17-32)26-14-8-13-25-30-28(24(34(25)26)20-35-6-2)23-12-7-11-22(31(23)4)27-21(3)10-9-15-29-27/h8-10,13-15,22-23H,5-7,11-12,16-20H2,1-4H3/t22-,23+/m0/s1
InChIKeyOODRZCGFUYCDGH-XZOQPEGZSA-N
XLogP4.61
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (CID 145424781) is 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is CCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(CC)CC3)n12.
What is the InChIKey of 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is OODRZCGFUYCDGH-XZOQPEGZSA-N. The full InChI is InChI=1S/C28H40N6O/c1-5-32-16-18-33(19-17-32)26-14-8-13-25-30-28(24(34(25)26)20-35-6-2)23-12-7-11-22(31(23)4)27-21(3)10-9-15-29-27/h8-10,13-15,22-23H,5-7,11-12,16-20H2,1-4H3/t22-,23+/m0/s1.
What are the key properties of 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 476.67 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).