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

C24H29F3N6O — CID 145424505

IUPAC5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5OC(F)(F)F)N4C)cn23)CC1
InChIInChI=1S/C24H29F3N6O/c1-30-12-14-32(15-13-30)22-10-4-9-21-29-17(16-33(21)22)18-6-3-7-19(31(18)2)23-20(8-5-11-28-23)34-24(25,26)27/h4-5,8-11,16,18-19H,3,6-7,12-15H2,1-2H3/t18-,19+/m1/s1
InChIKeyOTJHIVPMJUFBSQ-MOPGFXCFSA-N
MW474.53 g/mol
LogP4.28
Rot. Bonds4

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

5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 145424505) has the molecular formula C24H29F3N6O and a molecular weight of 474.53 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID145424505
Molecular FormulaC24H29F3N6O
Molecular Weight474.53 g/mol
Exact Mass474.24
IUPAC Name5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5OC(F)(F)F)N4C)cn23)CC1
InChIInChI=1S/C24H29F3N6O/c1-30-12-14-32(15-13-30)22-10-4-9-21-29-17(16-33(21)22)18-6-3-7-19(31(18)2)23-20(8-5-11-28-23)34-24(25,26)27/h4-5,8-11,16,18-19H,3,6-7,12-15H2,1-2H3/t18-,19+/m1/s1
InChIKeyOTJHIVPMJUFBSQ-MOPGFXCFSA-N
XLogP4.28
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine (CID 145424505) is 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine is CN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5OC(F)(F)F)N4C)cn23)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is OTJHIVPMJUFBSQ-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H29F3N6O/c1-30-12-14-32(15-13-30)22-10-4-9-21-29-17(16-33(21)22)18-6-3-7-19(31(18)2)23-20(8-5-11-28-23)34-24(25,26)27/h4-5,8-11,16,18-19H,3,6-7,12-15H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 474.53 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).