bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C103H105Cl2F9N40 — CID 161133495

About bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 161133495) has the molecular formula C103H105Cl2F9N40 and a molecular weight of 2145.14 g/mol. Its IUPAC name is bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 161133495
• Molecular Formula: C103H105Cl2F9N40
• Molecular Weight: 2145.14 g/mol
• Exact Mass: 2142.87
• IUPAC Name: bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: CC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C(C)C(c2cn[nH]c2)N1.CC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C(C)C(c2cn[nH]c2)N1.CC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1.CC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)[C@@H](C)[C@@H](c2cn[nH]c2)N1
• InChI: InChI=1S/3C21H21F3N8.2C20H21ClN8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)18-5-6-25-20(30-18)16-9-26-17-4-3-15(11-32(16)17)21(22,23)24;2*1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)20-25-6-5-16(30-20)17-9-26-18-4-3-15(11-32(17)18)21(22,23)24;2*1-12-10-28(13(2)19(26-12)14-7-24-25-8-14)18-5-6-22-20(27-18)16-9-23-17-4-3-15(21)11-29(16)17/h3*3-9,11-13,19,29H,10H2,1-2H3,(H,27,28);2*3-9,11-13,19,26H,10H2,1-2H3,(H,24,25)/t12-,13-,19-;;;;/m0..../s1
• InChIKey: UMMPWTFSKFXBGX-XVRZESTGSA-N
• XLogP: 16.57
• TPSA: 435.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2145.14
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 161133495) is bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C(C)C(c2cn[nH]c2)N1.CC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C(C)C(c2cn[nH]c2)N1.CC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1.CC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)[C@@H](C)[C@@H](c2cn[nH]c2)N1.

What is the InChIKey of bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is UMMPWTFSKFXBGX-XVRZESTGSA-N. The full InChI is InChI=1S/3C21H21F3N8.2C20H21ClN8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)18-5-6-25-20(30-18)16-9-26-17-4-3-15(11-32(16)17)21(22,23)24;2*1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)20-25-6-5-16(30-20)17-9-26-18-4-3-15(11-32(17)18)21(22,23)24;2*1-12-10-28(13(2)19(26-12)14-7-24-25-8-14)18-5-6-22-20(27-18)16-9-23-17-4-3-15(21)11-29(16)17/h3*3-9,11-13,19,29H,10H2,1-2H3,(H,27,28);2*3-9,11-13,19,26H,10H2,1-2H3,(H,24,25)/t12-,13-,19-;;;;/m0..../s1.

What are the key properties of bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 2145.14 g/mol, XLogP of 16.57, 15 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 161133495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).