2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol

C25H34N6O — CID 145424537

IUPAC2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1CCO
InChIInChI=1S/C25H34N6O/c1-19-6-5-11-26-25(19)22-8-3-7-21(30(22)16-17-32)20-18-31-23(27-20)9-4-10-24(31)29-14-12-28(2)13-15-29/h4-6,9-11,18,21-22,32H,3,7-8,12-17H2,1-2H3/t21-,22+/m1/s1
InChIKeySQYQEYFETHLSDU-YADHBBJMSA-N
MW434.59 g/mol
LogP3.05
Rot. Bonds5

About 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol

2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol (PubChem CID 145424537) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol
PubChem CID145424537
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1CCO
InChIInChI=1S/C25H34N6O/c1-19-6-5-11-26-25(19)22-8-3-7-21(30(22)16-17-32)20-18-31-23(27-20)9-4-10-24(31)29-14-12-28(2)13-15-29/h4-6,9-11,18,21-22,32H,3,7-8,12-17H2,1-2H3/t21-,22+/m1/s1
InChIKeySQYQEYFETHLSDU-YADHBBJMSA-N
XLogP3.05
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol (CID 145424537) is 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol is Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1CCO.
What is the InChIKey of 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol?
The InChIKey is SQYQEYFETHLSDU-YADHBBJMSA-N. The full InChI is InChI=1S/C25H34N6O/c1-19-6-5-11-26-25(19)22-8-3-7-21(30(22)16-17-32)20-18-31-23(27-20)9-4-10-24(31)29-14-12-28(2)13-15-29/h4-6,9-11,18,21-22,32H,3,7-8,12-17H2,1-2H3/t21-,22+/m1/s1.
What are the key properties of 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol?
2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol has a molecular weight of 434.59 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 145424537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).