4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C85H80ClF14N29O3S — CID 161267256

IUPAC4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.CS(=O)(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)C1.FC(F)(F)CCN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.Fc1ccc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cc1F
InChIInChI=1S/C26H21F5N8.C22H20F6N8.C20H21F3N6O2S.C17H18ClN7O/c27-19-3-1-16(9-20(19)28)13-37-7-8-38(15-22(37)17-10-34-35-11-17)24-5-6-32-25(36-24)21-12-33-23-4-2-18(14-39(21)23)26(29,30)31;23-21(24,25)4-6-34-7-8-35(13-17(34)14-9-31-32-10-14)19-3-5-29-20(33-19)16-11-30-18-2-1-15(12-36(16)18)22(26,27)28;1-32(30,31)28-12-19(13-28)6-2-8-27(11-19)17-5-7-24-18(26-17)15-9-25-16-4-3-14(10-29(15)16)20(21,22)23;1-10-15(16(19)26)20-6-7-24(10)14-4-5-21-17(23-14)12-8-22-13-3-2-11(18)9-25(12)13/h1-6,9-12,14,22H,7-8,13,15H2,(H,34,35);1-3,5,9-12,17H,4,6-8,13H2,(H,31,32);3-5,7,9-10H,2,6,8,11-13H2,1H3;2-5,8-10,15,20H,6-7H2,1H3,(H2,19,26)
InChIKeyVDIRUXOMBNUEGK-UHFFFAOYSA-N
MW1889.27 g/mol
LogP12.99
Rot. Bonds16

About 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 161267256) has the molecular formula C85H80ClF14N29O3S and a molecular weight of 1889.27 g/mol. Its IUPAC name is 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID161267256
Molecular FormulaC85H80ClF14N29O3S
Molecular Weight1889.27 g/mol
Exact Mass1887.62
IUPAC Name4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.CS(=O)(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)C1.FC(F)(F)CCN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.Fc1ccc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cc1F
InChIInChI=1S/C26H21F5N8.C22H20F6N8.C20H21F3N6O2S.C17H18ClN7O/c27-19-3-1-16(9-20(19)28)13-37-7-8-38(15-22(37)17-10-34-35-11-17)24-5-6-32-25(36-24)21-12-33-23-4-2-18(14-39(21)23)26(29,30)31;23-21(24,25)4-6-34-7-8-35(13-17(34)14-9-31-32-10-14)19-3-5-29-20(33-19)16-11-30-18-2-1-15(12-36(16)18)22(26,27)28;1-32(30,31)28-12-19(13-28)6-2-8-27(11-19)17-5-7-24-18(26-17)15-9-25-16-4-3-14(10-29(15)16)20(21,22)23;1-10-15(16(19)26)20-6-7-24(10)14-4-5-21-17(23-14)12-8-22-13-3-2-11(18)9-25(12)13/h1-6,9-12,14,22H,7-8,13,15H2,(H,34,35);1-3,5,9-12,17H,4,6-8,13H2,(H,31,32);3-5,7,9-10H,2,6,8,11-13H2,1H3;2-5,8-10,15,20H,6-7H2,1H3,(H2,19,26)
InChIKeyVDIRUXOMBNUEGK-UHFFFAOYSA-N
XLogP12.99
TPSA341.62 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001889.27
LogP ≤ 512.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 161267256) is 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.CS(=O)(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)C1.FC(F)(F)CCN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.Fc1ccc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cc1F.
What is the InChIKey of 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is VDIRUXOMBNUEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N8.C22H20F6N8.C20H21F3N6O2S.C17H18ClN7O/c27-19-3-1-16(9-20(19)28)13-37-7-8-38(15-22(37)17-10-34-35-11-17)24-5-6-32-25(36-24)21-12-33-23-4-2-18(14-39(21)23)26(29,30)31;23-21(24,25)4-6-34-7-8-35(13-17(34)14-9-31-32-10-14)19-3-5-29-20(33-19)16-11-30-18-2-1-15(12-36(16)18)22(26,27)28;1-32(30,31)28-12-19(13-28)6-2-8-27(11-19)17-5-7-24-18(26-17)15-9-25-16-4-3-14(10-29(15)16)20(21,22)23;1-10-15(16(19)26)20-6-7-24(10)14-4-5-21-17(23-14)12-8-22-13-3-2-11(18)9-25(12)13/h1-6,9-12,14,22H,7-8,13,15H2,(H,34,35);1-3,5,9-12,17H,4,6-8,13H2,(H,31,32);3-5,7,9-10H,2,6,8,11-13H2,1H3;2-5,8-10,15,20H,6-7H2,1H3,(H2,19,26).
What are the key properties of 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 1889.27 g/mol, XLogP of 12.99, 16 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 161267256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).