tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C97H112N12O11 — CID 158322841

IUPACtert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCC1CC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CCN1.CC1CC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CCN1C(=O)OC(C)(C)C.CC1CC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CCN1CCc1ccccc1
InChIInChI=1S/C36H40N4O3.C33H40N4O5.C28H32N4O3/c1-25-20-30(13-15-39(25)14-12-26-6-3-2-4-7-26)37-29-10-11-34-28(22-29)21-27-8-5-9-32(36(27)43-34)33-23-31(24-35(41)38-33)40-16-18-42-19-17-40;1-21-16-25(10-11-37(21)32(39)42-33(2,3)4)34-24-8-9-29-23(18-24)17-22-6-5-7-27(31(22)41-29)28-19-26(20-30(38)35-28)36-12-14-40-15-13-36;1-18-13-22(7-8-29-18)30-21-5-6-26-20(15-21)14-19-3-2-4-24(28(19)35-26)25-16-23(17-27(33)31-25)32-9-11-34-12-10-32/h2-11,22-25,30,37H,12-21H2,1H3,(H,38,41);5-9,18-21,25,34H,10-17H2,1-4H3,(H,35,38);2-6,15-18,22,29-30H,7-14H2,1H3,(H,31,33)
InChIKeyGPBFYNFFHKAYKN-UHFFFAOYSA-N
MW1622.04 g/mol
LogP15.98
Rot. Bonds15

About tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 158322841) has the molecular formula C97H112N12O11 and a molecular weight of 1622.04 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID158322841
Molecular FormulaC97H112N12O11
Molecular Weight1622.04 g/mol
Exact Mass1620.86
IUPAC Nametert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCC1CC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CCN1.CC1CC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CCN1C(=O)OC(C)(C)C.CC1CC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CCN1CCc1ccccc1
InChIInChI=1S/C36H40N4O3.C33H40N4O5.C28H32N4O3/c1-25-20-30(13-15-39(25)14-12-26-6-3-2-4-7-26)37-29-10-11-34-28(22-29)21-27-8-5-9-32(36(27)43-34)33-23-31(24-35(41)38-33)40-16-18-42-19-17-40;1-21-16-25(10-11-37(21)32(39)42-33(2,3)4)34-24-8-9-29-23(18-24)17-22-6-5-7-27(31(22)41-29)28-19-26(20-30(38)35-28)36-12-14-40-15-13-36;1-18-13-22(7-8-29-18)30-21-5-6-26-20(15-21)14-19-3-2-4-24(28(19)35-26)25-16-23(17-27(33)31-25)32-9-11-34-12-10-32/h2-11,22-25,30,37H,12-21H2,1H3,(H,38,41);5-9,18-21,25,34H,10-17H2,1-4H3,(H,35,38);2-6,15-18,22,29-30H,7-14H2,1H3,(H,31,33)
InChIKeyGPBFYNFFHKAYKN-UHFFFAOYSA-N
XLogP15.98
TPSA244.58 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001622.04
LogP ≤ 515.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-fluoro-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid
CID 121394024
4-[2-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]morpholin-4-yl]-1H-pyridin-2-one
CID 121394151
6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394153
6-[3-fluoro-7-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394184
4-[2-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]morpholin-4-yl]-1H-pyridin-2-one
CID 121394295
6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394297
4-morpholin-4-yl-6-[7-[[3-(trifluoromethyl)phenyl]methylamino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394618
4-morpholin-4-yl-6-[7-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395030
6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121395241
4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid
CID 121395288
tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate
CID 121401205
[fluoro-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino] piperidine-1-carboxylate
CID 140723038

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 158322841) is tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is CC1CC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CCN1.CC1CC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CCN1C(=O)OC(C)(C)C.CC1CC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CCN1CCc1ccccc1.
What is the InChIKey of tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is GPBFYNFFHKAYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N4O3.C33H40N4O5.C28H32N4O3/c1-25-20-30(13-15-39(25)14-12-26-6-3-2-4-7-26)37-29-10-11-34-28(22-29)21-27-8-5-9-32(36(27)43-34)33-23-31(24-35(41)38-33)40-16-18-42-19-17-40;1-21-16-25(10-11-37(21)32(39)42-33(2,3)4)34-24-8-9-29-23(18-24)17-22-6-5-7-27(31(22)41-29)28-19-26(20-30(38)35-28)36-12-14-40-15-13-36;1-18-13-22(7-8-29-18)30-21-5-6-26-20(15-21)14-19-3-2-4-24(28(19)35-26)25-16-23(17-27(33)31-25)32-9-11-34-12-10-32/h2-11,22-25,30,37H,12-21H2,1H3,(H,38,41);5-9,18-21,25,34H,10-17H2,1-4H3,(H,35,38);2-6,15-18,22,29-30H,7-14H2,1H3,(H,31,33).
What are the key properties of tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 1622.04 g/mol, XLogP of 15.98, 15 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate;6-[7-[[2-methyl-1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;6-[7-[(2-methylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 158322841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).