(2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile

C139H133Cl2F12N47O8 — CID 159328444

IUPAC(2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESC[C@@H]1[C@H](C(N)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.C[C@H]1C(C(N)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H]1C1=CCN=C1.Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H]1C1=CCN=C1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@@H]5CCCOC5)[C@@H](c5cn[nH]c5)C4)n3)n2c1.N#CC1(C(=O)N2CCN(c3nccc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)CC1
InChIInChI=1S/2C25H21F3N8O2.C25H27F3N8O.C24H20F3N9O.2C20H22ClN7O/c2*1-15-18(11-32-38-15)24(37)35-9-8-34(14-20(35)16-4-6-29-10-16)22-5-7-30-23(33-22)19-12-31-21-3-2-17(13-36(19)21)25(26,27)28;26-25(27,28)19-3-4-23-30-12-21(36(23)14-19)20-5-6-29-24(33-20)35-8-7-34(13-17-2-1-9-37-16-17)22(15-35)18-10-31-32-11-18;25-24(26,27)16-1-2-20-30-11-18(36(20)12-16)17-3-6-29-22(33-17)34-7-8-35(21(37)23(14-28)4-5-23)19(13-34)15-9-31-32-10-15;2*1-12-18(19(22)29)27(14-3-4-14)9-8-26(12)17-6-7-23-20(25-17)15-10-24-16-5-2-13(21)11-28(15)16/h2*2-5,7,10-13,20H,6,8-9,14H2,1H3;3-6,10-12,14,17,22H,1-2,7-9,13,15-16H2,(H,31,32);1-3,6,9-12,19H,4-5,7-8,13H2,(H,31,32);2*2,5-7,10-12,14,18H,3-4,8-9H2,1H3,(H2,22,29)/t2*20-;17-,22+;;12-,18?;12-,18-/m100.01/s1
InChIKeyLERBBKSUMSWHBE-BIGAZALYSA-N
MW2888.80 g/mol
LogP17.89
Rot. Bonds25

About (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile

(2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 159328444) has the molecular formula C139H133Cl2F12N47O8 and a molecular weight of 2888.80 g/mol. Its IUPAC name is (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name(2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID159328444
Molecular FormulaC139H133Cl2F12N47O8
Molecular Weight2888.80 g/mol
Exact Mass2886.06
IUPAC Name(2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESC[C@@H]1[C@H](C(N)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.C[C@H]1C(C(N)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H]1C1=CCN=C1.Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H]1C1=CCN=C1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@@H]5CCCOC5)[C@@H](c5cn[nH]c5)C4)n3)n2c1.N#CC1(C(=O)N2CCN(c3nccc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)CC1
InChIInChI=1S/2C25H21F3N8O2.C25H27F3N8O.C24H20F3N9O.2C20H22ClN7O/c2*1-15-18(11-32-38-15)24(37)35-9-8-34(14-20(35)16-4-6-29-10-16)22-5-7-30-23(33-22)19-12-31-21-3-2-17(13-36(19)21)25(26,27)28;26-25(27,28)19-3-4-23-30-12-21(36(23)14-19)20-5-6-29-24(33-20)35-8-7-34(13-17-2-1-9-37-16-17)22(15-35)18-10-31-32-11-18;25-24(26,27)16-1-2-20-30-11-18(36(20)12-16)17-3-6-29-22(33-17)34-7-8-35(21(37)23(14-28)4-5-23)19(13-34)15-9-31-32-10-15;2*1-12-18(19(22)29)27(14-3-4-14)9-8-26(12)17-6-7-23-20(25-17)15-10-24-16-5-2-13(21)11-28(15)16/h2*2-5,7,10-13,20H,6,8-9,14H2,1H3;3-6,10-12,14,17,22H,1-2,7-9,13,15-16H2,(H,31,32);1-3,6,9-12,19H,4-5,7-8,13H2,(H,31,32);2*2,5-7,10-12,14,18H,3-4,8-9H2,1H3,(H2,22,29)/t2*20-;17-,22+;;12-,18?;12-,18-/m100.01/s1
InChIKeyLERBBKSUMSWHBE-BIGAZALYSA-N
XLogP17.89
TPSA601.91 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds25
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002888.80
LogP ≤ 517.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Analyze (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158304071
(2R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;3-[4-[4-(1-ethoxycyclopropyl)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159659884
4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone;[(1S,2S)-2-fluorocyclopropyl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(2S,3S)-2-methyl-4-[(3-methyloxetan-3-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-4-[(3-methyloxetan-3-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 162045233

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile (CID 159328444) is (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile is C[C@@H]1[C@H](C(N)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.C[C@H]1C(C(N)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H]1C1=CCN=C1.Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H]1C1=CCN=C1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@@H]5CCCOC5)[C@@H](c5cn[nH]c5)C4)n3)n2c1.N#CC1(C(=O)N2CCN(c3nccc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)CC1.
What is the InChIKey of (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is LERBBKSUMSWHBE-BIGAZALYSA-N. The full InChI is InChI=1S/2C25H21F3N8O2.C25H27F3N8O.C24H20F3N9O.2C20H22ClN7O/c2*1-15-18(11-32-38-15)24(37)35-9-8-34(14-20(35)16-4-6-29-10-16)22-5-7-30-23(33-22)19-12-31-21-3-2-17(13-36(19)21)25(26,27)28;26-25(27,28)19-3-4-23-30-12-21(36(23)14-19)20-5-6-29-24(33-20)35-8-7-34(13-17-2-1-9-37-16-17)22(15-35)18-10-31-32-11-18;25-24(26,27)16-1-2-20-30-11-18(36(20)12-16)17-3-6-29-22(33-17)34-7-8-35(21(37)23(14-28)4-5-23)19(13-34)15-9-31-32-10-15;2*1-12-18(19(22)29)27(14-3-4-14)9-8-26(12)17-6-7-23-20(25-17)15-10-24-16-5-2-13(21)11-28(15)16/h2*2-5,7,10-13,20H,6,8-9,14H2,1H3;3-6,10-12,14,17,22H,1-2,7-9,13,15-16H2,(H,31,32);1-3,6,9-12,19H,4-5,7-8,13H2,(H,31,32);2*2,5-7,10-12,14,18H,3-4,8-9H2,1H3,(H2,22,29)/t2*20-;17-,22+;;12-,18?;12-,18-/m100.01/s1.
What are the key properties of (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?
(2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 2888.80 g/mol, XLogP of 17.89, 25 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 159328444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).