3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one

C85H113ClN18O16 — CID 157346481

IUPAC3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one
SMILESCN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)CC3CCC[C@@H](O)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3CCC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3CCC[C@@H](O)C3)cnn12.Nc1cccn([C@@H]2CCCOC2)c1=O
InChIInChI=1S/C30H40N6O6.C25H32N6O4.C20H27ClN4O4.C10H14N2O2/c1-30(2,3)42-29(40)34(4)26-16-25(32-23-11-6-12-35(28(23)39)20-9-7-13-41-18-20)33-27-22(17-31-36(26)27)24(38)15-19-8-5-10-21(37)14-19;1-26-23-13-22(28-20-8-3-9-30(25(20)34)17-6-4-10-35-15-17)29-24-19(14-27-31(23)24)21(33)12-16-5-2-7-18(32)11-16;1-20(2,3)29-19(28)24(4)17-10-16(21)23-18-14(11-22-25(17)18)15(27)9-12-6-5-7-13(26)8-12;11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h6,11-12,16-17,19-21,37H,5,7-10,13-15,18H2,1-4H3,(H,32,33);3,8-9,13-14,16-18,26,32H,2,4-7,10-12,15H2,1H3,(H,28,29);10-13,26H,5-9H2,1-4H3;1,4-5,8H,2-3,6-7,11H2/t19?,20-,21-;16?,17-,18-;12?,13-;8-/m1111/s1
InChIKeyBHAKXAGVQMMAPA-MPEVFYLKSA-N
MW1678.40 g/mol
LogP12.29
Rot. Bonds19

About 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one

3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one (PubChem CID 157346481) has the molecular formula C85H113ClN18O16 and a molecular weight of 1678.40 g/mol. Its IUPAC name is 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one
PubChem CID157346481
Molecular FormulaC85H113ClN18O16
Molecular Weight1678.40 g/mol
Exact Mass1676.83
IUPAC Name3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one
SMILESCN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)CC3CCC[C@@H](O)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3CCC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3CCC[C@@H](O)C3)cnn12.Nc1cccn([C@@H]2CCCOC2)c1=O
InChIInChI=1S/C30H40N6O6.C25H32N6O4.C20H27ClN4O4.C10H14N2O2/c1-30(2,3)42-29(40)34(4)26-16-25(32-23-11-6-12-35(28(23)39)20-9-7-13-41-18-20)33-27-22(17-31-36(26)27)24(38)15-19-8-5-10-21(37)14-19;1-26-23-13-22(28-20-8-3-9-30(25(20)34)17-6-4-10-35-15-17)29-24-19(14-27-31(23)24)21(33)12-16-5-2-7-18(32)11-16;1-20(2,3)29-19(28)24(4)17-10-16(21)23-18-14(11-22-25(17)18)15(27)9-12-6-5-7-13(26)8-12;11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h6,11-12,16-17,19-21,37H,5,7-10,13-15,18H2,1-4H3,(H,32,33);3,8-9,13-14,16-18,26,32H,2,4-7,10-12,15H2,1H3,(H,28,29);10-13,26H,5-9H2,1-4H3;1,4-5,8H,2-3,6-7,11H2/t19?,20-,21-;16?,17-,18-;12?,13-;8-/m1111/s1
InChIKeyBHAKXAGVQMMAPA-MPEVFYLKSA-N
XLogP12.29
TPSA417.35 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001678.40
LogP ≤ 512.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one with MolForge

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Related Compounds

1-(2-cyclopropyloxyethyl)-3-[[3-[2-[(1R,2S)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-[[3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
CID 157181449
3-amino-1-propan-2-ylpyridin-2-one;tert-butyl N-[3-[2-[(1R,2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);3-[[3-[2-[(1R,2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-amino-1-methylcyclobutan-1-ol
CID 157215028
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 157334680
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 157334684
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 157379174
3-amino-1-(2-cyclopropyloxyethyl)pyridin-2-one;tert-butyl N-[5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-(2-cyclopropyloxyethyl)-3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[[1-(2-cyclopropyloxyethyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;trans-(1R,2R)-2-hydroxychloranuidylcyclobutan-1-ol
CID 157630165
3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-methoxy-3-methylcyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxy-3-methylcyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,3S)-3-methoxy-3-methylcyclohexan-1-amine;3-[[3-[2-[(3R)-3-methoxy-3-methylcyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(oxan-4-yl)pyridin-2-one
CID 157635297
3-amino-1-propan-2-ylpyridin-2-one;tert-butyl N-[3-[2-[(1R,2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-amino-1-methylcyclobutan-1-ol
CID 157668755
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;methane
CID 157949507
3-amino-1-propan-2-ylpyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxy-3-methylcyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,3S)-3-amino-1-methylcyclohexan-1-ol;N-[(3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158137441
3-amino-1-propan-2-ylpyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxy-3-methylcyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,3S)-3-amino-1-methylcyclohexan-1-ol;N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158137443
3-amino-1-[(3S)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-hydroxycyclopentyl]carbamoyl]-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158243707

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one (CID 157346481) is 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)CC3CCC[C@@H](O)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3CCC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3CCC[C@@H](O)C3)cnn12.Nc1cccn([C@@H]2CCCOC2)c1=O.
What is the InChIKey of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?
The InChIKey is BHAKXAGVQMMAPA-MPEVFYLKSA-N. The full InChI is InChI=1S/C30H40N6O6.C25H32N6O4.C20H27ClN4O4.C10H14N2O2/c1-30(2,3)42-29(40)34(4)26-16-25(32-23-11-6-12-35(28(23)39)20-9-7-13-41-18-20)33-27-22(17-31-36(26)27)24(38)15-19-8-5-10-21(37)14-19;1-26-23-13-22(28-20-8-3-9-30(25(20)34)17-6-4-10-35-15-17)29-24-19(14-27-31(23)24)21(33)12-16-5-2-7-18(32)11-16;1-20(2,3)29-19(28)24(4)17-10-16(21)23-18-14(11-22-25(17)18)15(27)9-12-6-5-7-13(26)8-12;11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h6,11-12,16-17,19-21,37H,5,7-10,13-15,18H2,1-4H3,(H,32,33);3,8-9,13-14,16-18,26,32H,2,4-7,10-12,15H2,1H3,(H,28,29);10-13,26H,5-9H2,1-4H3;1,4-5,8H,2-3,6-7,11H2/t19?,20-,21-;16?,17-,18-;12?,13-;8-/m1111/s1.
What are the key properties of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one has a molecular weight of 1678.40 g/mol, XLogP of 12.29, 19 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(3R)-3-hydroxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 157346481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).