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

C102H97ClF12N36O4 — CID 158856231

IUPAC6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine)
SMILESCC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C(C)C(c2cn[nH]c2)N1.C[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1
InChIInChI=1S/2C21H20F3N7O.C20H21ClN8.2C20H18F3N7O/c2*1-12-9-30(11-17(32-12)15-7-27-29-13(15)2)19-5-6-25-20(28-19)16-8-26-18-4-3-14(10-31(16)18)21(22,23)24;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;2*1-12-9-29(11-17(31-12)13-6-26-27-7-13)19-24-5-4-15(28-19)16-8-25-18-3-2-14(10-30(16)18)20(21,22)23/h2*3-8,10,12,17H,9,11H2,1-2H3,(H,27,29);3-9,11-13,19,26H,10H2,1-2H3,(H,24,25);2*2-8,10,12,17H,9,11H2,1H3,(H,26,27)/t2*12-,17-;;2*12-,17-/m11.11/s1
InChIKeyJABVNKNFPPSYOL-LTDZGVMVSA-N
MW2154.57 g/mol
LogP17.71
Rot. Bonds15

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

6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine) (PubChem CID 158856231) has the molecular formula C102H97ClF12N36O4 and a molecular weight of 2154.57 g/mol. Its IUPAC name is 6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine).

Molecular Properties

Compound Name6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine)
PubChem CID158856231
Molecular FormulaC102H97ClF12N36O4
Molecular Weight2154.57 g/mol
Exact Mass2152.80
IUPAC Name6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine)
SMILESCC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C(C)C(c2cn[nH]c2)N1.C[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1
InChIInChI=1S/2C21H20F3N7O.C20H21ClN8.2C20H18F3N7O/c2*1-12-9-30(11-17(32-12)15-7-27-29-13(15)2)19-5-6-25-20(28-19)16-8-26-18-4-3-14(10-31(16)18)21(22,23)24;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;2*1-12-9-29(11-17(31-12)13-6-26-27-7-13)19-24-5-4-15(28-19)16-8-25-18-3-2-14(10-30(16)18)20(21,22)23/h2*3-8,10,12,17H,9,11H2,1-2H3,(H,27,29);3-9,11-13,19,26H,10H2,1-2H3,(H,24,25);2*2-8,10,12,17H,9,11H2,1H3,(H,26,27)/t2*12-,17-;;2*12-,17-/m11.11/s1
InChIKeyJABVNKNFPPSYOL-LTDZGVMVSA-N
XLogP17.71
TPSA423.95 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds15
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002154.57
LogP ≤ 517.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

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

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Related Compounds

(2R,6S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
CID 139344284
(2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
CID 139344288
(2S,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
CID 139344332
4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 139344356
(2R,6R)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
CID 139344397
(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
CID 139344458
(2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
CID 139344481
(2S,6S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
CID 139344564
(2S,6R)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
CID 139344652
(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine
CID 139344691
(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 139344763
(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 139344765

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine)?
The IUPAC name of 6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine) (CID 158856231) is 6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine).
What is the SMILES notation for 6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine)?
The canonical SMILES for 6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine) is CC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C(C)C(c2cn[nH]c2)N1.C[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.
What is the InChIKey of 6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine)?
The InChIKey is JABVNKNFPPSYOL-LTDZGVMVSA-N. The full InChI is InChI=1S/2C21H20F3N7O.C20H21ClN8.2C20H18F3N7O/c2*1-12-9-30(11-17(32-12)15-7-27-29-13(15)2)19-5-6-25-20(28-19)16-8-26-18-4-3-14(10-31(16)18)21(22,23)24;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;2*1-12-9-29(11-17(31-12)13-6-26-27-7-13)19-24-5-4-15(28-19)16-8-25-18-3-2-14(10-30(16)18)20(21,22)23/h2*3-8,10,12,17H,9,11H2,1-2H3,(H,27,29);3-9,11-13,19,26H,10H2,1-2H3,(H,24,25);2*2-8,10,12,17H,9,11H2,1H3,(H,26,27)/t2*12-,17-;;2*12-,17-/m11.11/s1.
What are the key properties of 6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine)?
6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine) has a molecular weight of 2154.57 g/mol, XLogP of 17.71, 15 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine) is sourced from PubChem (CID 158856231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).