tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide

C117H120Cl6F6N40O8S — CID 157419492

About tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide

tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide (PubChem CID 157419492) has the molecular formula C117H120Cl6F6N40O8S and a molecular weight of 2573.29 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
• PubChem CID: 157419492
• Molecular Formula: C117H120Cl6F6N40O8S
• Molecular Weight: 2573.29 g/mol
• Exact Mass: 2568.80
• IUPAC Name: tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
• SMILES: CC(C)(C)OC(=O)N[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC[C@H]1O.C[C@@H]1CN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1C[C@H](N=S(C)(C)=O)CN(c2nccc(-c3cnc4cc(Cl)c(Cl)cn34)n2)C1.C[C@H]1CN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C[C@@H](c2cn[nH]c2)O1.C[C@H]1CN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1.NC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1CCC(F)(F)F
• InChI: InChI=1S/C21H25ClN6O3.C20H19F6N7O.C19H22Cl2N6OS.3C19H18ClN7O/c1-21(2,3)31-20(30)25-14-12-27(9-7-16(14)29)18-6-8-23-19(26-18)15-10-24-17-5-4-13(22)11-28(15)17;21-19(22,23)4-6-31-7-8-32(11-14(31)17(27)34)16-3-5-28-18(30-16)13-9-29-15-2-1-12(10-33(13)15)20(24,25)26;1-12-6-13(25-29(2,3)28)10-26(9-12)19-22-5-4-16(24-19)17-8-23-18-7-14(20)15(21)11-27(17)18;3*1-12-9-26(11-17(28-12)13-6-23-24-7-13)19-21-5-4-15(25-19)16-8-22-18-3-2-14(20)10-27(16)18/h4-6,8,10-11,14,16,29H,7,9,12H2,1-3H3,(H,25,30);1-3,5,9-10,14H,4,6-8,11H2,(H2,27,34);4-5,7-8,11-13H,6,9-10H2,1-3H3;3*2-8,10,12,17H,9,11H2,1H3,(H,23,24)/t14-,16+;;12-,13+;12-,17+;2*12-,17-/m0.1010/s1
• InChIKey: BPFVEUNQMHBUHI-INZJTLPESA-N
• XLogP: 19.09
• TPSA: 525.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 20
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2573.29
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?

The IUPAC name of tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide (CID 157419492) is tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide.

What is the SMILES notation for tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?

The canonical SMILES for tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide is CC(C)(C)OC(=O)N[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC[C@H]1O.C[C@@H]1CN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1C[C@H](N=S(C)(C)=O)CN(c2nccc(-c3cnc4cc(Cl)c(Cl)cn34)n2)C1.C[C@H]1CN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C[C@@H](c2cn[nH]c2)O1.C[C@H]1CN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1.NC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1CCC(F)(F)F.

What is the InChIKey of tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?

The InChIKey is BPFVEUNQMHBUHI-INZJTLPESA-N. The full InChI is InChI=1S/C21H25ClN6O3.C20H19F6N7O.C19H22Cl2N6OS.3C19H18ClN7O/c1-21(2,3)31-20(30)25-14-12-27(9-7-16(14)29)18-6-8-23-19(26-18)15-10-24-17-5-4-13(22)11-28(15)17;21-19(22,23)4-6-31-7-8-32(11-14(31)17(27)34)16-3-5-28-18(30-16)13-9-29-15-2-1-12(10-33(13)15)20(24,25)26;1-12-6-13(25-29(2,3)28)10-26(9-12)19-22-5-4-16(24-19)17-8-23-18-7-14(20)15(21)11-27(17)18;3*1-12-9-26(11-17(28-12)13-6-23-24-7-13)19-21-5-4-15(25-19)16-8-22-18-3-2-14(20)10-27(16)18/h4-6,8,10-11,14,16,29H,7,9,12H2,1-3H3,(H,25,30);1-3,5,9-10,14H,4,6-8,11H2,(H2,27,34);4-5,7-8,11-13H,6,9-10H2,1-3H3;3*2-8,10,12,17H,9,11H2,1H3,(H,23,24)/t14-,16+;;12-,13+;12-,17+;2*12-,17-/m0.1010/s1.

What are the key properties of tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?

tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide has a molecular weight of 2573.29 g/mol, XLogP of 19.09, 20 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide is sourced from PubChem (CID 157419492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).