3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C23H24F3N7 — CID 139357004

IUPAC3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1nn(C)cc1C1C[C@H](C)CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C23H24F3N7/c1-14-8-16(18-13-31(3)30-15(18)2)11-32(10-14)22-27-7-6-19(29-22)20-9-28-21-5-4-17(12-33(20)21)23(24,25)26/h4-7,9,12-14,16H,8,10-11H2,1-3H3/t14-,16?/m0/s1
InChIKeyXZYOBCZARMBOIF-LBAUFKAWSA-N
MW455.49 g/mol
LogP4.48
Rot. Bonds3

About 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139357004) has the molecular formula C23H24F3N7 and a molecular weight of 455.49 g/mol. Its IUPAC name is 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139357004
Molecular FormulaC23H24F3N7
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC Name3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1nn(C)cc1C1C[C@H](C)CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C23H24F3N7/c1-14-8-16(18-13-31(3)30-15(18)2)11-32(10-14)22-27-7-6-19(29-22)20-9-28-21-5-4-17(12-33(20)21)23(24,25)26/h4-7,9,12-14,16H,8,10-11H2,1-3H3/t14-,16?/m0/s1
InChIKeyXZYOBCZARMBOIF-LBAUFKAWSA-N
XLogP4.48
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139357004) is 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1nn(C)cc1C1C[C@H](C)CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is XZYOBCZARMBOIF-LBAUFKAWSA-N. The full InChI is InChI=1S/C23H24F3N7/c1-14-8-16(18-13-31(3)30-15(18)2)11-32(10-14)22-27-7-6-19(29-22)20-9-28-21-5-4-17(12-33(20)21)23(24,25)26/h4-7,9,12-14,16H,8,10-11H2,1-3H3/t14-,16?/m0/s1.
What are the key properties of 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 455.49 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139357004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).