tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

C101H110Cl4F4N30O8S — CID 158735680

About tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 158735680) has the molecular formula C101H110Cl4F4N30O8S and a molecular weight of 2122.06 g/mol. Its IUPAC name is tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 158735680
• Molecular Formula: C101H110Cl4F4N30O8S
• Molecular Weight: 2122.06 g/mol
• Exact Mass: 2118.75
• IUPAC Name: tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
• SMILES: CC(C)(C(=O)O)C1CCCN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1.CC(C)(C)OC(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(Cl)cn45)n3)C2)C1.CN(CC1CCCN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1)S(C)(=O)=O.COc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@@H](C)C[C@@H](c3cn[nH]c3)C2)n1.NC(=O)[C@@H]1CCCN(c2nc(-c3cnc4ccc(C(F)(F)F)cn34)ncc2F)C1
• InChI: InChI=1S/C23H27ClN6O2.C21H22ClN7O.C20H22ClN5O2.C19H23ClN6O2S.C18H16F4N6O/c1-22(2,3)32-21(31)29-14-23(15-29)8-4-10-28(13-23)19-7-9-25-20(27-19)17-11-26-18-6-5-16(24)12-30(17)18;1-13-5-14(15-7-24-25-8-15)11-28(10-13)21-26-17(6-20(27-21)30-2)18-9-23-19-4-3-16(22)12-29(18)19;1-20(2,19(27)28)13-4-3-9-25(11-13)17-7-8-22-18(24-17)15-10-23-16-6-5-14(21)12-26(15)16;1-24(29(2,27)28)11-14-4-3-9-25(12-14)18-7-8-21-19(23-18)16-10-22-17-6-5-15(20)13-26(16)17;19-12-6-25-16(26-17(12)27-5-1-2-10(8-27)15(23)29)13-7-24-14-4-3-11(9-28(13)14)18(20,21)22/h5-7,9,11-12H,4,8,10,13-15H2,1-3H3;3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,24,25);5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,28);5-8,10,13-14H,3-4,9,11-12H2,1-2H3;3-4,6-7,9-10H,1-2,5,8H2,(H2,23,29)/t;13-,14+;;;10-/m.0..1/s1
• InChIKey: ILQNTPOJLQNKGN-CPLRPZHDSA-N
• XLogP: 17.06
• TPSA: 416.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.06
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 158735680) is tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is CC(C)(C(=O)O)C1CCCN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1.CC(C)(C)OC(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(Cl)cn45)n3)C2)C1.CN(CC1CCCN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1)S(C)(=O)=O.COc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@@H](C)C[C@@H](c3cn[nH]c3)C2)n1.NC(=O)[C@@H]1CCCN(c2nc(-c3cnc4ccc(C(F)(F)F)cn34)ncc2F)C1.

What is the InChIKey of tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?

The InChIKey is ILQNTPOJLQNKGN-CPLRPZHDSA-N. The full InChI is InChI=1S/C23H27ClN6O2.C21H22ClN7O.C20H22ClN5O2.C19H23ClN6O2S.C18H16F4N6O/c1-22(2,3)32-21(31)29-14-23(15-29)8-4-10-28(13-23)19-7-9-25-20(27-19)17-11-26-18-6-5-16(24)12-30(17)18;1-13-5-14(15-7-24-25-8-15)11-28(10-13)21-26-17(6-20(27-21)30-2)18-9-23-19-4-3-16(22)12-29(18)19;1-20(2,19(27)28)13-4-3-9-25(11-13)17-7-8-22-18(24-17)15-10-23-16-6-5-14(21)12-26(15)16;1-24(29(2,27)28)11-14-4-3-9-25(12-14)18-7-8-21-19(23-18)16-10-22-17-6-5-15(20)13-26(16)17;19-12-6-25-16(26-17(12)27-5-1-2-10(8-27)15(23)29)13-7-24-14-4-3-11(9-28(13)14)18(20,21)22/h5-7,9,11-12H,4,8,10,13-15H2,1-3H3;3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,24,25);5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,28);5-8,10,13-14H,3-4,9,11-12H2,1-2H3;3-4,6-7,9-10H,1-2,5,8H2,(H2,23,29)/t;13-,14+;;;10-/m.0..1/s1.

What are the key properties of tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?

tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 2122.06 g/mol, XLogP of 17.06, 18 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 8-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;N-[[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid;6-chloro-3-[6-methoxy-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;(3R)-1-[5-fluoro-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 158735680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).