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

C26H33F3N6O — CID 146555338

IUPAC2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2COC(F)(F)F)N1C
InChIInChI=1S/C26H33F3N6O/c1-18-7-6-12-30-24(18)19-8-4-9-20(33(19)3)25-21(17-36-26(27,28)29)35-22(31-25)10-5-11-23(35)34-15-13-32(2)14-16-34/h5-7,10-12,19-20H,4,8-9,13-17H2,1-3H3/t19-,20+/m0/s1
InChIKeyVLQUBAZFWILQBH-VQTJNVASSA-N
MW502.59 g/mol
LogP4.72
Rot. Bonds5

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

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine (PubChem CID 146555338) has the molecular formula C26H33F3N6O and a molecular weight of 502.59 g/mol. Its IUPAC name is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine
PubChem CID146555338
Molecular FormulaC26H33F3N6O
Molecular Weight502.59 g/mol
Exact Mass502.27
IUPAC Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2COC(F)(F)F)N1C
InChIInChI=1S/C26H33F3N6O/c1-18-7-6-12-30-24(18)19-8-4-9-20(33(19)3)25-21(17-36-26(27,28)29)35-22(31-25)10-5-11-23(35)34-15-13-32(2)14-16-34/h5-7,10-12,19-20H,4,8-9,13-17H2,1-3H3/t19-,20+/m0/s1
InChIKeyVLQUBAZFWILQBH-VQTJNVASSA-N
XLogP4.72
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.59
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine (CID 146555338) is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)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-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2COC(F)(F)F)N1C.
What is the InChIKey of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine?
The InChIKey is VLQUBAZFWILQBH-VQTJNVASSA-N. The full InChI is InChI=1S/C26H33F3N6O/c1-18-7-6-12-30-24(18)19-8-4-9-20(33(19)3)25-21(17-36-26(27,28)29)35-22(31-25)10-5-11-23(35)34-15-13-32(2)14-16-34/h5-7,10-12,19-20H,4,8-9,13-17H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine?
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine has a molecular weight of 502.59 g/mol, XLogP of 4.72, 5 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-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 146555338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).