tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine

C81H109ClF3N19O7 — CID 157102035

IUPACtert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(CCCN3CCOCC3)nc(-c3cnc4ccc(F)cn34)n2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(Cl)nc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nc(CCCN4CCOCC4)cc(C[C@@H]4CCCNC4)n3)n2c1.NCCN1CCOCC1
InChIInChI=1S/C29H39FN6O3.C24H31FN6O.C22H25ClFN5O2.C6H14N2O/c1-29(2,3)39-28(37)35-11-4-6-21(19-35)16-24-17-23(7-5-10-34-12-14-38-15-13-34)32-27(33-24)25-18-31-26-9-8-22(30)20-36(25)26;25-19-5-6-23-27-16-22(31(23)17-19)24-28-20(4-2-8-30-9-11-32-12-10-30)14-21(29-24)13-18-3-1-7-26-15-18;1-22(2,3)31-21(30)28-8-4-5-14(12-28)9-16-10-18(23)27-20(26-16)17-11-25-19-7-6-15(24)13-29(17)19;7-1-2-8-3-5-9-6-4-8/h8-9,17-18,20-21H,4-7,10-16,19H2,1-3H3;5-6,14,16-18,26H,1-4,7-13,15H2;6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3;1-7H2/t21-;18-;14-;/m000./s1
InChIKeyAFWLQHNPTSHJHC-GEKKORKASA-N
MW1553.34 g/mol
LogP11.17
Rot. Bonds19

About tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine

tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine (PubChem CID 157102035) has the molecular formula C81H109ClF3N19O7 and a molecular weight of 1553.34 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine
PubChem CID157102035
Molecular FormulaC81H109ClF3N19O7
Molecular Weight1553.34 g/mol
Exact Mass1551.84
IUPAC Nametert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(CCCN3CCOCC3)nc(-c3cnc4ccc(F)cn34)n2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(Cl)nc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nc(CCCN4CCOCC4)cc(C[C@@H]4CCCNC4)n3)n2c1.NCCN1CCOCC1
InChIInChI=1S/C29H39FN6O3.C24H31FN6O.C22H25ClFN5O2.C6H14N2O/c1-29(2,3)39-28(37)35-11-4-6-21(19-35)16-24-17-23(7-5-10-34-12-14-38-15-13-34)32-27(33-24)25-18-31-26-9-8-22(30)20-36(25)26;25-19-5-6-23-27-16-22(31(23)17-19)24-28-20(4-2-8-30-9-11-32-12-10-30)14-21(29-24)13-18-3-1-7-26-15-18;1-22(2,3)31-21(30)28-8-4-5-14(12-28)9-16-10-18(23)27-20(26-16)17-11-25-19-7-6-15(24)13-29(17)19;7-1-2-8-3-5-9-6-4-8/h8-9,17-18,20-21H,4-7,10-16,19H2,1-3H3;5-6,14,16-18,26H,1-4,7-13,15H2;6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3;1-7H2/t21-;18-;14-;/m000./s1
InChIKeyAFWLQHNPTSHJHC-GEKKORKASA-N
XLogP11.17
TPSA263.78 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001553.34
LogP ≤ 511.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine with MolForge

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Related Compounds

Tert-butyl 2-(2-((6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)methylamino)pyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 58336929
(R)-tert-Butyl 3-(2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholino ethylamino)pyrimidin-4-ylamino)piperidine-1-carboxylate
CID 86692688
Tert-butyl 3-[[6-[ethyl(morpholin-2-yl)amino]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 89755061
Tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 89755062
tert-butyl (1S,4S)-5-[[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 141534949
1-[4-(3-Chloro-5-methyl-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
CID 144325878
[9-[[2-(6-Chloro-5-fluoro-2-pyridinyl)-5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-pyridinyl]methyl]purin-6-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 156069715
7-[5-chloro-6-[(2S,6R)-6-[3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]-2-[(2R,6S)-6-[5-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 156281651
tert-butyl N-[9-[[2-(6-chloro-5-fluoro-2-pyridinyl)-5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 156637854
Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 157063868
2-[[5-Chloro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]-1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[7-(1,1-difluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
CID 157279779
(4R)-3-[6-chloro-2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one;(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 157564286

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine?
The IUPAC name of tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine (CID 157102035) is tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine.
What is the SMILES notation for tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine?
The canonical SMILES for tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine is CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(CCCN3CCOCC3)nc(-c3cnc4ccc(F)cn34)n2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(Cl)nc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nc(CCCN4CCOCC4)cc(C[C@@H]4CCCNC4)n3)n2c1.NCCN1CCOCC1.
What is the InChIKey of tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine?
The InChIKey is AFWLQHNPTSHJHC-GEKKORKASA-N. The full InChI is InChI=1S/C29H39FN6O3.C24H31FN6O.C22H25ClFN5O2.C6H14N2O/c1-29(2,3)39-28(37)35-11-4-6-21(19-35)16-24-17-23(7-5-10-34-12-14-38-15-13-34)32-27(33-24)25-18-31-26-9-8-22(30)20-36(25)26;25-19-5-6-23-27-16-22(31(23)17-19)24-28-20(4-2-8-30-9-11-32-12-10-30)14-21(29-24)13-18-3-1-7-26-15-18;1-22(2,3)31-21(30)28-8-4-5-14(12-28)9-16-10-18(23)27-20(26-16)17-11-25-19-7-6-15(24)13-29(17)19;7-1-2-8-3-5-9-6-4-8/h8-9,17-18,20-21H,4-7,10-16,19H2,1-3H3;5-6,14,16-18,26H,1-4,7-13,15H2;6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3;1-7H2/t21-;18-;14-;/m000./s1.
What are the key properties of tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine?
tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine has a molecular weight of 1553.34 g/mol, XLogP of 11.17, 19 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;4-[3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]propyl]morpholine;2-morpholin-4-ylethanamine is sourced from PubChem (CID 157102035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).