6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C84H95N11O11 — CID 158190143

IUPAC6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.CN1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C33H40N4O5.C29H34N4O3.C22H21N3O3/c1-33(2,3)42-32(39)37-12-5-7-24(11-13-37)34-25-9-10-29-23(19-25)18-22-6-4-8-27(31(22)41-29)28-20-26(21-30(38)35-28)36-14-16-40-17-15-36;1-32-10-3-5-22(9-11-32)30-23-7-8-27-21(17-23)16-20-4-2-6-25(29(20)36-27)26-18-24(19-28(34)31-26)33-12-14-35-15-13-33;23-16-4-5-20-15(11-16)10-14-2-1-3-18(22(14)28-20)19-12-17(13-21(26)24-19)25-6-8-27-9-7-25/h4,6,8-10,19-21,24,34H,5,7,11-18H2,1-3H3,(H,35,38);2,4,6-8,17-19,22,30H,3,5,9-16H2,1H3,(H,31,34);1-5,11-13H,6-10,23H2,(H,24,26)
InChIKeyFZQNZDSYIGFIEJ-UHFFFAOYSA-N
MW1434.75 g/mol
LogP13.40
Rot. Bonds10

About 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 158190143) has the molecular formula C84H95N11O11 and a molecular weight of 1434.75 g/mol. Its IUPAC name is 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID158190143
Molecular FormulaC84H95N11O11
Molecular Weight1434.75 g/mol
Exact Mass1433.72
IUPAC Name6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.CN1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C33H40N4O5.C29H34N4O3.C22H21N3O3/c1-33(2,3)42-32(39)37-12-5-7-24(11-13-37)34-25-9-10-29-23(19-25)18-22-6-4-8-27(31(22)41-29)28-20-26(21-30(38)35-28)36-14-16-40-17-15-36;1-32-10-3-5-22(9-11-32)30-23-7-8-27-21(17-23)16-20-4-2-6-25(29(20)36-27)26-18-24(19-28(34)31-26)33-12-14-35-15-13-33;23-16-4-5-20-15(11-16)10-14-2-1-3-18(22(14)28-20)19-12-17(13-21(26)24-19)25-6-8-27-9-7-25/h4,6,8-10,19-21,24,34H,5,7,11-18H2,1-3H3,(H,35,38);2,4,6-8,17-19,22,30H,3,5,9-16H2,1H3,(H,31,34);1-5,11-13H,6-10,23H2,(H,24,26)
InChIKeyFZQNZDSYIGFIEJ-UHFFFAOYSA-N
XLogP13.40
TPSA246.54 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001434.75
LogP ≤ 513.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-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

tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate
CID 121394579
4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121393955
4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467771
6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393879
4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394374
6-[7-[(5-methyl-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394784
6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394781
6-[7-[[6-(methylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393969
6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121395163
6-[7-[(6-chloro-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468024
6-[7-[1-(2-methoxypyrimidin-4-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121467620
4-morpholin-4-yl-6-[7-[[5-(propan-2-ylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467887

Frequently Asked Questions

What is the IUPAC name of 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 158190143) is 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is CC(C)(C)OC(=O)N1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.CN1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2.
What is the InChIKey of 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is FZQNZDSYIGFIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O5.C29H34N4O3.C22H21N3O3/c1-33(2,3)42-32(39)37-12-5-7-24(11-13-37)34-25-9-10-29-23(19-25)18-22-6-4-8-27(31(22)41-29)28-20-26(21-30(38)35-28)36-14-16-40-17-15-36;1-32-10-3-5-22(9-11-32)30-23-7-8-27-21(17-23)16-20-4-2-6-25(29(20)36-27)26-18-24(19-28(34)31-26)33-12-14-35-15-13-33;23-16-4-5-20-15(11-16)10-14-2-1-3-18(22(14)28-20)19-12-17(13-21(26)24-19)25-6-8-27-9-7-25/h4,6,8-10,19-21,24,34H,5,7,11-18H2,1-3H3,(H,35,38);2,4,6-8,17-19,22,30H,3,5,9-16H2,1H3,(H,31,34);1-5,11-13H,6-10,23H2,(H,24,26).
What are the key properties of 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 1434.75 g/mol, XLogP of 13.40, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 158190143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).