(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

C103H103Cl2F9N36O5 — CID 159659884

IUPAC(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
SMILESCCOC1(N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C(C)C2c2cn[nH]c2)CC1.Cc1oncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCNC(c5cn[nH]c5)C4)n3)n2c1.NC(=O)[C@@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCN1C1CC1.NC(=O)[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCN1C1CC1
InChIInChI=1S/C25H27F3N8O.C21H19F3N6O2.2C19H20ClN7O.C19H17F3N8/c1-3-37-24(7-8-24)36-11-10-34(16(2)22(36)17-12-31-32-13-17)21-6-9-29-23(33-21)19-14-30-20-5-4-18(15-35(19)20)25(26,27)28;1-12-9-29(11-17(31-12)15-7-27-32-13(15)2)19-5-6-25-20(28-19)16-8-26-18-4-3-14(10-30(16)18)21(22,23)24;2*20-12-1-4-16-23-9-14(27(16)10-12)19-22-6-5-17(24-19)25-7-8-26(13-2-3-13)15(11-25)18(21)28;20-19(21,22)13-1-2-16-25-9-15(30(16)10-13)18-24-4-3-17(28-18)29-6-5-23-14(11-29)12-7-26-27-8-12/h4-6,9,12-16,22H,3,7-8,10-11H2,1-2H3,(H,31,32);3-8,10,12,17H,9,11H2,1-2H3;2*1,4-6,9-10,13,15H,2-3,7-8,11H2,(H2,21,28);1-4,7-10,14,23H,5-6,11H2,(H,26,27)/t;12-,17-;2*15-;/m.110./s1
InChIKeyMSQXLKTUNQSIDK-QDCYITQXSA-N
MW2167.09 g/mol
LogP14.23
Rot. Bonds20

About (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

(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 (PubChem CID 159659884) has the molecular formula C103H103Cl2F9N36O5 and a molecular weight of 2167.09 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159659884
Molecular FormulaC103H103Cl2F9N36O5
Molecular Weight2167.09 g/mol
Exact Mass2164.81
IUPAC Name(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
SMILESCCOC1(N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C(C)C2c2cn[nH]c2)CC1.Cc1oncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCNC(c5cn[nH]c5)C4)n3)n2c1.NC(=O)[C@@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCN1C1CC1.NC(=O)[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCN1C1CC1
InChIInChI=1S/C25H27F3N8O.C21H19F3N6O2.2C19H20ClN7O.C19H17F3N8/c1-3-37-24(7-8-24)36-11-10-34(16(2)22(36)17-12-31-32-13-17)21-6-9-29-23(33-21)19-14-30-20-5-4-18(15-35(19)20)25(26,27)28;1-12-9-29(11-17(31-12)15-7-27-32-13(15)2)19-5-6-25-20(28-19)16-8-26-18-4-3-14(10-30(16)18)21(22,23)24;2*20-12-1-4-16-23-9-14(27(16)10-12)19-22-6-5-17(24-19)25-7-8-26(13-2-3-13)15(11-25)18(21)28;20-19(21,22)13-1-2-16-25-9-15(30(16)10-13)18-24-4-3-17(28-18)29-6-5-23-14(11-29)12-7-26-27-8-12/h4-6,9,12-16,22H,3,7-8,10-11H2,1-2H3,(H,31,32);3-8,10,12,17H,9,11H2,1-2H3;2*1,4-6,9-10,13,15H,2-3,7-8,11H2,(H2,21,28);1-4,7-10,14,23H,5-6,11H2,(H,26,27)/t;12-,17-;2*15-;/m.110./s1
InChIKeyMSQXLKTUNQSIDK-QDCYITQXSA-N
XLogP14.23
TPSA441.38 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds20
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002167.09
LogP ≤ 514.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCOC1(N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C(C)C2c2cn[nH]c2)CC1.Cc1oncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCNC(c5cn[nH]c5)C4)n3)n2c1.NC(=O)[C@@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCN1C1CC1.NC(=O)[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCN1C1CC1.
What is the InChIKey of (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?
The InChIKey is MSQXLKTUNQSIDK-QDCYITQXSA-N. The full InChI is InChI=1S/C25H27F3N8O.C21H19F3N6O2.2C19H20ClN7O.C19H17F3N8/c1-3-37-24(7-8-24)36-11-10-34(16(2)22(36)17-12-31-32-13-17)21-6-9-29-23(33-21)19-14-30-20-5-4-18(15-35(19)20)25(26,27)28;1-12-9-29(11-17(31-12)15-7-27-32-13(15)2)19-5-6-25-20(28-19)16-8-26-18-4-3-14(10-30(16)18)21(22,23)24;2*20-12-1-4-16-23-9-14(27(16)10-12)19-22-6-5-17(24-19)25-7-8-26(13-2-3-13)15(11-25)18(21)28;20-19(21,22)13-1-2-16-25-9-15(30(16)10-13)18-24-4-3-17(28-18)29-6-5-23-14(11-29)12-7-26-27-8-12/h4-6,9,12-16,22H,3,7-8,10-11H2,1-2H3,(H,31,32);3-8,10,12,17H,9,11H2,1-2H3;2*1,4-6,9-10,13,15H,2-3,7-8,11H2,(H2,21,28);1-4,7-10,14,23H,5-6,11H2,(H,26,27)/t;12-,17-;2*15-;/m.110./s1.
What are the key properties of (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?
(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 has a molecular weight of 2167.09 g/mol, XLogP of 14.23, 20 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159659884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).