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

C28H40N6O — CID 145424552

IUPAC[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C(C)C)N4C)c(CO)n23)CC1
InChIInChI=1S/C28H40N6O/c1-5-32-15-17-33(18-16-32)26-13-7-12-25-30-28(24(19-35)34(25)26)23-11-6-10-22(31(23)4)27-21(20(2)3)9-8-14-29-27/h7-9,12-14,20,22-23,35H,5-6,10-11,15-19H2,1-4H3/t22-,23+/m0/s1
InChIKeyMXCWBVYFTGCPRI-XZOQPEGZSA-N
MW476.67 g/mol
LogP4.39
Rot. Bonds6

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

[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 145424552) has the molecular formula C28H40N6O and a molecular weight of 476.67 g/mol. Its IUPAC name is [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID145424552
Molecular FormulaC28H40N6O
Molecular Weight476.67 g/mol
Exact Mass476.33
IUPAC Name[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C(C)C)N4C)c(CO)n23)CC1
InChIInChI=1S/C28H40N6O/c1-5-32-15-17-33(18-16-32)26-13-7-12-25-30-28(24(19-35)34(25)26)23-11-6-10-22(31(23)4)27-21(20(2)3)9-8-14-29-27/h7-9,12-14,20,22-23,35H,5-6,10-11,15-19H2,1-4H3/t22-,23+/m0/s1
InChIKeyMXCWBVYFTGCPRI-XZOQPEGZSA-N
XLogP4.39
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol with MolForge

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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-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (CID 145424552) is [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is CCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C(C)C)N4C)c(CO)n23)CC1.
What is the InChIKey of [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is MXCWBVYFTGCPRI-XZOQPEGZSA-N. The full InChI is InChI=1S/C28H40N6O/c1-5-32-15-17-33(18-16-32)26-13-7-12-25-30-28(24(19-35)34(25)26)23-11-6-10-22(31(23)4)27-21(20(2)3)9-8-14-29-27/h7-9,12-14,20,22-23,35H,5-6,10-11,15-19H2,1-4H3/t22-,23+/m0/s1.
What are the key properties of [5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 476.67 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 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-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 145424552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).