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

C30H44N6O — CID 145424783

IUPAC3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C(C)C)N2C)nc2cccc(N3CCN(CC)CC3)n12
InChIInChI=1S/C30H44N6O/c1-6-34-17-19-35(20-18-34)28-15-9-14-27-32-30(26(36(27)28)21-37-7-2)25-13-8-12-24(33(25)5)29-23(22(3)4)11-10-16-31-29/h9-11,14-16,22,24-25H,6-8,12-13,17-21H2,1-5H3/t24-,25+/m0/s1
InChIKeyRFPBBQHDUGKCKW-LOSJGSFVSA-N
MW504.72 g/mol
LogP5.43
Rot. Bonds8

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

3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 145424783) has the molecular formula C30H44N6O and a molecular weight of 504.72 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-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-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID145424783
Molecular FormulaC30H44N6O
Molecular Weight504.72 g/mol
Exact Mass504.36
IUPAC Name3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C(C)C)N2C)nc2cccc(N3CCN(CC)CC3)n12
InChIInChI=1S/C30H44N6O/c1-6-34-17-19-35(20-18-34)28-15-9-14-27-32-30(26(36(27)28)21-37-7-2)25-13-8-12-24(33(25)5)29-23(22(3)4)11-10-16-31-29/h9-11,14-16,22,24-25H,6-8,12-13,17-21H2,1-5H3/t24-,25+/m0/s1
InChIKeyRFPBBQHDUGKCKW-LOSJGSFVSA-N
XLogP5.43
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-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-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (CID 145424783) is 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is CCOCc1c([C@H]2CCC[C@@H](c3ncccc3C(C)C)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-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is RFPBBQHDUGKCKW-LOSJGSFVSA-N. The full InChI is InChI=1S/C30H44N6O/c1-6-34-17-19-35(20-18-34)28-15-9-14-27-32-30(26(36(27)28)21-37-7-2)25-13-8-12-24(33(25)5)29-23(22(3)4)11-10-16-31-29/h9-11,14-16,22,24-25H,6-8,12-13,17-21H2,1-5H3/t24-,25+/m0/s1.
What are the key properties of 3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 504.72 g/mol, XLogP of 5.43, 8 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-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).