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

C29H42N6O — CID 145424768

IUPAC3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C(C)C)CC3)n12
InChIInChI=1S/C29H42N6O/c1-6-36-20-25-29(24-12-7-11-23(32(24)5)28-22(4)10-9-15-30-28)31-26-13-8-14-27(35(25)26)34-18-16-33(17-19-34)21(2)3/h8-10,13-15,21,23-24H,6-7,11-12,16-20H2,1-5H3/t23-,24+/m0/s1
InChIKeyKDXGNSFLTHLKHA-BJKOFHAPSA-N
MW490.70 g/mol
LogP5.00
Rot. Bonds7

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

3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424768) has the molecular formula C29H42N6O and a molecular weight of 490.70 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID145424768
Molecular FormulaC29H42N6O
Molecular Weight490.70 g/mol
Exact Mass490.34
IUPAC Name3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C(C)C)CC3)n12
InChIInChI=1S/C29H42N6O/c1-6-36-20-25-29(24-12-7-11-23(32(24)5)28-22(4)10-9-15-30-28)31-26-13-8-14-27(35(25)26)34-18-16-33(17-19-34)21(2)3/h8-10,13-15,21,23-24H,6-7,11-12,16-20H2,1-5H3/t23-,24+/m0/s1
InChIKeyKDXGNSFLTHLKHA-BJKOFHAPSA-N
XLogP5.00
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.70
LogP ≤ 55.00
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-propan-2-ylpiperazin-1-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)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424768) is 3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is CCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C(C)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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is KDXGNSFLTHLKHA-BJKOFHAPSA-N. The full InChI is InChI=1S/C29H42N6O/c1-6-36-20-25-29(24-12-7-11-23(32(24)5)28-22(4)10-9-15-30-28)31-26-13-8-14-27(35(25)26)34-18-16-33(17-19-34)21(2)3/h8-10,13-15,21,23-24H,6-7,11-12,16-20H2,1-5H3/t23-,24+/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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 490.70 g/mol, XLogP of 5.00, 7 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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).