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

C25H31F3N6 — CID 145424753

IUPAC2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(CC(F)(F)F)CC4)cccc3n2)N1C
InChIInChI=1S/C25H31F3N6/c1-18-6-5-11-29-24(18)21-8-3-7-20(31(21)2)19-16-34-22(30-19)9-4-10-23(34)33-14-12-32(13-15-33)17-25(26,27)28/h4-6,9-11,16,20-21H,3,7-8,12-15,17H2,1-2H3/t20-,21+/m1/s1
InChIKeyWCAVKNJDEJFUHC-RTWAWAEBSA-N
MW472.56 g/mol
LogP4.62
Rot. Bonds4

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

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 145424753) has the molecular formula C25H31F3N6 and a molecular weight of 472.56 g/mol. Its IUPAC name is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID145424753
Molecular FormulaC25H31F3N6
Molecular Weight472.56 g/mol
Exact Mass472.26
IUPAC Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(CC(F)(F)F)CC4)cccc3n2)N1C
InChIInChI=1S/C25H31F3N6/c1-18-6-5-11-29-24(18)21-8-3-7-20(31(21)2)19-16-34-22(30-19)9-4-10-23(34)33-14-12-32(13-15-33)17-25(26,27)28/h4-6,9-11,16,20-21H,3,7-8,12-15,17H2,1-2H3/t20-,21+/m1/s1
InChIKeyWCAVKNJDEJFUHC-RTWAWAEBSA-N
XLogP4.62
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine (CID 145424753) is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(CC(F)(F)F)CC4)cccc3n2)N1C.
What is the InChIKey of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is WCAVKNJDEJFUHC-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H31F3N6/c1-18-6-5-11-29-24(18)21-8-3-7-20(31(21)2)19-16-34-22(30-19)9-4-10-23(34)33-14-12-32(13-15-33)17-25(26,27)28/h4-6,9-11,16,20-21H,3,7-8,12-15,17H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 472.56 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).