(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

C102H99Cl3F7N35O5S — CID 158751672

About (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (PubChem CID 158751672) has the molecular formula C102H99Cl3F7N35O5S and a molecular weight of 2166.57 g/mol. Its IUPAC name is (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

• Compound Name: (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
• PubChem CID: 158751672
• Molecular Formula: C102H99Cl3F7N35O5S
• Molecular Weight: 2166.57 g/mol
• Exact Mass: 2163.72
• IUPAC Name: (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
• SMILES: C[C@@H]1C[C@@H](c2cn[nH]c2)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](c2cn[nH]c2)O1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C[C@@H](C)O1.NC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.O=S1(=O)CC2(CC(N3CCN(c4ccnc(-c5cnc6ccc(C(F)(F)F)cn56)n4)C[C@H]3c3cn[nH]c3)C2)C1
• InChI: InChI=1S/C25H25F3N8O2S.C20H20ClN7O.C20H20ClN7.C20H18F3N7O.C17H16ClFN6O/c26-25(27,28)17-1-2-21-30-11-19(36(21)12-17)23-29-4-3-22(33-23)34-5-6-35(20(13-34)16-9-31-32-10-16)18-7-24(8-18)14-39(37,38)15-24;1-12-9-27(11-17(29-12)15-7-24-26-13(15)2)19-5-6-22-20(25-19)16-8-23-18-4-3-14(21)10-28(16)18;1-13-6-14(15-7-24-25-8-15)11-27(10-13)19-4-5-22-20(26-19)17-9-23-18-3-2-16(21)12-28(17)18;1-12-9-29(11-16(31-12)13-6-26-27-7-13)18-4-5-24-19(28-18)15-8-25-17-3-2-14(10-30(15)17)20(21,22)23;18-11-9-25-13(7-22-15(25)6-12(11)19)17-21-4-3-14(23-17)24-5-1-2-10(8-24)16(20)26/h1-4,9-12,18,20H,5-8,13-15H2,(H,31,32);3-8,10,12,17H,9,11H2,1-2H3,(H,24,26);2-5,7-9,12-14H,6,10-11H2,1H3,(H,24,25);2-8,10,12,16H,9,11H2,1H3,(H,26,27);3-4,6-7,9-10H,1-2,5,8H2,(H2,20,26)/t20-;12-,17-;13-,14-;12-,16-;10-/m01100/s1
• InChIKey: INOHQPHYCZJQMZ-RRJUDGKGSA-N
• XLogP: 16.00
• TPSA: 445.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2166.57
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?

The IUPAC name of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (CID 158751672) is (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.

What is the SMILES notation for (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?

The canonical SMILES for (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is C[C@@H]1C[C@@H](c2cn[nH]c2)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](c2cn[nH]c2)O1.Cc1[nH]ncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C[C@@H](C)O1.NC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.O=S1(=O)CC2(CC(N3CCN(c4ccnc(-c5cnc6ccc(C(F)(F)F)cn56)n4)C[C@H]3c3cn[nH]c3)C2)C1.

What is the InChIKey of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?

The InChIKey is INOHQPHYCZJQMZ-RRJUDGKGSA-N. The full InChI is InChI=1S/C25H25F3N8O2S.C20H20ClN7O.C20H20ClN7.C20H18F3N7O.C17H16ClFN6O/c26-25(27,28)17-1-2-21-30-11-19(36(21)12-17)23-29-4-3-22(33-23)34-5-6-35(20(13-34)16-9-31-32-10-16)18-7-24(8-18)14-39(37,38)15-24;1-12-9-27(11-17(29-12)15-7-24-26-13(15)2)19-5-6-22-20(25-19)16-8-23-18-4-3-14(21)10-28(16)18;1-13-6-14(15-7-24-25-8-15)11-27(10-13)19-4-5-22-20(26-19)17-9-23-18-3-2-16(21)12-28(17)18;1-12-9-29(11-16(31-12)13-6-26-27-7-13)18-4-5-24-19(28-18)15-8-25-17-3-2-14(10-30(15)17)20(21,22)23;18-11-9-25-13(7-22-15(25)6-12(11)19)17-21-4-3-14(23-17)24-5-1-2-10(8-24)16(20)26/h1-4,9-12,18,20H,5-8,13-15H2,(H,31,32);3-8,10,12,17H,9,11H2,1-2H3,(H,24,26);2-5,7-9,12-14H,6,10-11H2,1H3,(H,24,25);2-8,10,12,16H,9,11H2,1H3,(H,26,27);3-4,6-7,9-10H,1-2,5,8H2,(H2,20,26)/t20-;12-,17-;13-,14-;12-,16-;10-/m01100/s1.

What are the key properties of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?

(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 2166.57 g/mol, XLogP of 16.00, 16 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;6-chloro-3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 158751672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).