(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide

C94H98Cl2F9N33O8 — CID 158116506

About (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide

(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide (PubChem CID 158116506) has the molecular formula C94H98Cl2F9N33O8 and a molecular weight of 2059.93 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
• PubChem CID: 158116506
• Molecular Formula: C94H98Cl2F9N33O8
• Molecular Weight: 2059.93 g/mol
• Exact Mass: 2057.75
• IUPAC Name: (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
• SMILES: CC(O)C(=O)N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.COCCN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C(N)=O.C[C@@H]1C[C@@H](N)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1.N[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC[C@H]1O.O=C(N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1
• InChI: InChI=1S/C21H19F3N8O2.C20H22F3N7O2.C20H21F3N6O3.C17H19ClN6.C16H17ClN6O/c22-21(23,24)13-1-2-17-26-8-16(32(17)9-13)19-25-4-3-18(30-19)31-10-14(5-15(33)11-31)29-20(34)12-6-27-28-7-12;1-32-9-8-28-6-7-29(12-15(28)18(24)31)17-4-5-25-19(27-17)14-10-26-16-3-2-13(11-30(14)16)20(21,22)23;1-11(30)19(32)26-13-6-14(31)10-28(9-13)17-4-5-24-18(27-17)15-7-25-16-3-2-12(8-29(15)16)20(21,22)23;1-11-6-13(19)10-23(8-11)16-4-5-20-17(22-16)14-7-21-15-3-2-12(18)9-24(14)15;17-10-1-2-14-20-7-12(23(14)8-10)16-19-5-3-15(21-16)22-6-4-13(24)11(18)9-22/h1-4,6-9,14-15,33H,5,10-11H2,(H,27,28)(H,29,34);2-5,10-11,15H,6-9,12H2,1H3,(H2,24,31);2-5,7-8,11,13-14,30-31H,6,9-10H2,1H3,(H,26,32);2-5,7,9,11,13H,6,8,10,19H2,1H3;1-3,5,7-8,11,13,24H,4,6,9,18H2/t14-,15-;;11?,13-,14-;11-,13-;11-,13+/m0.010/s1
• InChIKey: FRBOCJDDZWDOPY-OEHQTJLQSA-N
• XLogP: 8.54
• TPSA: 507.00 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2059.93
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?

The IUPAC name of (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide (CID 158116506) is (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide.

What is the SMILES notation for (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?

The canonical SMILES for (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide is CC(O)C(=O)N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.COCCN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C(N)=O.C[C@@H]1C[C@@H](N)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1.N[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC[C@H]1O.O=C(N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1.

What is the InChIKey of (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?

The InChIKey is FRBOCJDDZWDOPY-OEHQTJLQSA-N. The full InChI is InChI=1S/C21H19F3N8O2.C20H22F3N7O2.C20H21F3N6O3.C17H19ClN6.C16H17ClN6O/c22-21(23,24)13-1-2-17-26-8-16(32(17)9-13)19-25-4-3-18(30-19)31-10-14(5-15(33)11-31)29-20(34)12-6-27-28-7-12;1-32-9-8-28-6-7-29(12-15(28)18(24)31)17-4-5-25-19(27-17)14-10-26-16-3-2-13(11-30(14)16)20(21,22)23;1-11(30)19(32)26-13-6-14(31)10-28(9-13)17-4-5-24-18(27-17)15-7-25-16-3-2-12(8-29(15)16)20(21,22)23;1-11-6-13(19)10-23(8-11)16-4-5-20-17(22-16)14-7-21-15-3-2-12(18)9-24(14)15;17-10-1-2-14-20-7-12(23(14)8-10)16-19-5-3-15(21-16)22-6-4-13(24)11(18)9-22/h1-4,6-9,14-15,33H,5,10-11H2,(H,27,28)(H,29,34);2-5,10-11,15H,6-9,12H2,1H3,(H2,24,31);2-5,7-8,11,13-14,30-31H,6,9-10H2,1H3,(H,26,32);2-5,7,9,11,13H,6,8,10,19H2,1H3;1-3,5,7-8,11,13,24H,4,6,9,18H2/t14-,15-;;11?,13-,14-;11-,13-;11-,13+/m0.010/s1.

What are the key properties of (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?

(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide has a molecular weight of 2059.93 g/mol, XLogP of 8.54, 18 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide is sourced from PubChem (CID 158116506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).