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

C28H38N6O — CID 146555336

IUPAC2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C5CCOCC5)CC4)cccc3n2)N1C
InChIInChI=1S/C28H38N6O/c1-21-6-5-13-29-28(21)25-8-3-7-24(31(25)2)23-20-34-26(30-23)9-4-10-27(34)33-16-14-32(15-17-33)22-11-18-35-19-12-22/h4-6,9-10,13,20,22,24-25H,3,7-8,11-12,14-19H2,1-2H3/t24-,25+/m1/s1
InChIKeyZDLHYWLVHGKQSV-RPBOFIJWSA-N
MW474.65 g/mol
LogP4.24
Rot. Bonds4

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

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 146555336) has the molecular formula C28H38N6O and a molecular weight of 474.65 g/mol. Its IUPAC name is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID146555336
Molecular FormulaC28H38N6O
Molecular Weight474.65 g/mol
Exact Mass474.31
IUPAC Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C5CCOCC5)CC4)cccc3n2)N1C
InChIInChI=1S/C28H38N6O/c1-21-6-5-13-29-28(21)25-8-3-7-24(31(25)2)23-20-34-26(30-23)9-4-10-27(34)33-16-14-32(15-17-33)22-11-18-35-19-12-22/h4-6,9-10,13,20,22,24-25H,3,7-8,11-12,14-19H2,1-2H3/t24-,25+/m1/s1
InChIKeyZDLHYWLVHGKQSV-RPBOFIJWSA-N
XLogP4.24
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine (CID 146555336) is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C5CCOCC5)CC4)cccc3n2)N1C.
What is the InChIKey of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is ZDLHYWLVHGKQSV-RPBOFIJWSA-N. The full InChI is InChI=1S/C28H38N6O/c1-21-6-5-13-29-28(21)25-8-3-7-24(31(25)2)23-20-34-26(30-23)9-4-10-27(34)33-16-14-32(15-17-33)22-11-18-35-19-12-22/h4-6,9-10,13,20,22,24-25H,3,7-8,11-12,14-19H2,1-2H3/t24-,25+/m1/s1.
What are the key properties of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine?
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 474.65 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(oxan-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 146555336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).