3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C42H41ClF6N14 — CID 159702193

IUPAC3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESC[C@@H]1CNC[C@H](c2cn[nH]c2)C1.C[C@H]1C[C@@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1ccc2ncc(-c3ccnc(Cl)n3)n2c1
InChIInChI=1S/C21H20F3N7.C12H6ClF3N4.C9H15N3/c1-13-6-14(15-7-27-28-8-15)11-30(10-13)20-25-5-4-17(29-20)18-9-26-19-3-2-16(12-31(18)19)21(22,23)24;13-11-17-4-3-8(19-11)9-5-18-10-2-1-7(6-20(9)10)12(14,15)16;1-7-2-8(4-10-3-7)9-5-11-12-6-9/h2-5,7-9,12-14H,6,10-11H2,1H3,(H,27,28);1-6H;5-8,10H,2-4H2,1H3,(H,11,12)/t13-,14+;;7-,8+/m0.0/s1
InChIKeyMXTNNKJDYMDIRI-SSOHKPDZSA-N
MW891.33 g/mol
LogP8.75
Rot. Bonds5

About 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 159702193) has the molecular formula C42H41ClF6N14 and a molecular weight of 891.33 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID159702193
Molecular FormulaC42H41ClF6N14
Molecular Weight891.33 g/mol
Exact Mass890.32
IUPAC Name3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESC[C@@H]1CNC[C@H](c2cn[nH]c2)C1.C[C@H]1C[C@@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1ccc2ncc(-c3ccnc(Cl)n3)n2c1
InChIInChI=1S/C21H20F3N7.C12H6ClF3N4.C9H15N3/c1-13-6-14(15-7-27-28-8-15)11-30(10-13)20-25-5-4-17(29-20)18-9-26-19-3-2-16(12-31(18)19)21(22,23)24;13-11-17-4-3-8(19-11)9-5-18-10-2-1-7(6-20(9)10)12(14,15)16;1-7-2-8(4-10-3-7)9-5-11-12-6-9/h2-5,7-9,12-14H,6,10-11H2,1H3,(H,27,28);1-6H;5-8,10H,2-4H2,1H3,(H,11,12)/t13-,14+;;7-,8+/m0.0/s1
InChIKeyMXTNNKJDYMDIRI-SSOHKPDZSA-N
XLogP8.75
TPSA158.79 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.33
LogP ≤ 58.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

N-piperidin-4-yl-6-[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 44448970
6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 44448973
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine
CID 62706154
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-3-ylimidazo[1,2-a]pyridin-2-amine
CID 62706155
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methyl-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706156
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(4-methyl-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706158
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methyl-4-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706312
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
CID 62706313
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(4-methylpyrimidin-5-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706314
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
CID 62706471
3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 68353938

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 159702193) is 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is C[C@@H]1CNC[C@H](c2cn[nH]c2)C1.C[C@H]1C[C@@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1ccc2ncc(-c3ccnc(Cl)n3)n2c1.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is MXTNNKJDYMDIRI-SSOHKPDZSA-N. The full InChI is InChI=1S/C21H20F3N7.C12H6ClF3N4.C9H15N3/c1-13-6-14(15-7-27-28-8-15)11-30(10-13)20-25-5-4-17(29-20)18-9-26-19-3-2-16(12-31(18)19)21(22,23)24;13-11-17-4-3-8(19-11)9-5-18-10-2-1-7(6-20(9)10)12(14,15)16;1-7-2-8(4-10-3-7)9-5-11-12-6-9/h2-5,7-9,12-14H,6,10-11H2,1H3,(H,27,28);1-6H;5-8,10H,2-4H2,1H3,(H,11,12)/t13-,14+;;7-,8+/m0.0/s1.
What are the key properties of 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 891.33 g/mol, XLogP of 8.75, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159702193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).