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

C29H42N6O — CID 145424675

IUPAC5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine
SMILESCCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C)N4C)c(COC(C)C)n23)CC1
InChIInChI=1S/C29H42N6O/c1-6-33-16-18-34(19-17-33)27-14-8-13-26-31-29(25(35(26)27)20-36-21(2)3)24-12-7-11-23(32(24)5)28-22(4)10-9-15-30-28/h8-10,13-15,21,23-24H,6-7,11-12,16-20H2,1-5H3/t23-,24+/m0/s1
InChIKeyZZGPOYZAZNDXRJ-BJKOFHAPSA-N
MW490.70 g/mol
LogP5.00
Rot. Bonds7

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

5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine (PubChem CID 145424675) has the molecular formula C29H42N6O and a molecular weight of 490.70 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine
PubChem CID145424675
Molecular FormulaC29H42N6O
Molecular Weight490.70 g/mol
Exact Mass490.34
IUPAC Name5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine
SMILESCCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C)N4C)c(COC(C)C)n23)CC1
InChIInChI=1S/C29H42N6O/c1-6-33-16-18-34(19-17-33)27-14-8-13-26-31-29(25(35(26)27)20-36-21(2)3)24-12-7-11-23(32(24)5)28-22(4)10-9-15-30-28/h8-10,13-15,21,23-24H,6-7,11-12,16-20H2,1-5H3/t23-,24+/m0/s1
InChIKeyZZGPOYZAZNDXRJ-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine (CID 145424675) is 5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine is CCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C)N4C)c(COC(C)C)n23)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine?
The InChIKey is ZZGPOYZAZNDXRJ-BJKOFHAPSA-N. The full InChI is InChI=1S/C29H42N6O/c1-6-33-16-18-34(19-17-33)27-14-8-13-26-31-29(25(35(26)27)20-36-21(2)3)24-12-7-11-23(32(24)5)28-22(4)10-9-15-30-28/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 5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine?
5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)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 5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).