2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C138H155F3N26O25 — CID 159465983

IUPAC2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](C)N)nc3ncccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](C)NC(=O)OC(C)(C)C)nc3ncccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](C)NCc3cccnc3)nc3ncccc3c2=O)cc1.CCOc1ccc(NC(=O)c2cccnc2NC(=O)C(C)NC(=O)OC(C)(C)C)cc1.C[C@@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@@H](NC(=O)OC(C)(C)C)c1nc2ncccc2c(=O)o1
InChIInChI=1S/C32H28F3N5O4.C23H23N5O2.C22H28N4O5.C22H26N4O4.C17H18N4O2.C14H17N3O4.C8H15NO4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35;1-3-30-19-10-8-18(9-11-19)28-22(16(2)26-15-17-6-4-12-24-14-17)27-21-20(23(28)29)7-5-13-25-21;1-6-30-16-11-9-15(10-12-16)25-20(28)17-8-7-13-23-18(17)26-19(27)14(2)24-21(29)31-22(3,4)5;1-6-29-16-11-9-15(10-12-16)26-19(14(2)24-21(28)30-22(3,4)5)25-18-17(20(26)27)8-7-13-23-18;1-3-23-13-8-6-12(7-9-13)21-16(11(2)18)20-15-14(17(21)22)5-4-10-19-15;1-8(16-13(19)21-14(2,3)4)11-17-10-9(12(18)20-11)6-5-7-15-10;1-5(6(10)11)9-7(12)13-8(2,3)4/h4-17,19,21H,3,18,20H2,1-2H3;4-14,16,26H,3,15H2,1-2H3;7-14H,6H2,1-5H3,(H,24,29)(H,25,28)(H,23,26,27);7-14H,6H2,1-5H3,(H,24,28);4-11H,3,18H2,1-2H3;5-8H,1-4H3,(H,16,19);5H,1-4H3,(H,9,12)(H,10,11)/t21-;16-;;14-;11-;8-;5-/m11.1111/s1
InChIKeyLVELTTAWEXLSDZ-WAVXLLIWSA-N
MW2634.91 g/mol
LogP21.93
Rot. Bonds37

About 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 159465983) has the molecular formula C138H155F3N26O25 and a molecular weight of 2634.91 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID159465983
Molecular FormulaC138H155F3N26O25
Molecular Weight2634.91 g/mol
Exact Mass2633.16
IUPAC Name2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](C)N)nc3ncccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](C)NC(=O)OC(C)(C)C)nc3ncccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](C)NCc3cccnc3)nc3ncccc3c2=O)cc1.CCOc1ccc(NC(=O)c2cccnc2NC(=O)C(C)NC(=O)OC(C)(C)C)cc1.C[C@@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@@H](NC(=O)OC(C)(C)C)c1nc2ncccc2c(=O)o1
InChIInChI=1S/C32H28F3N5O4.C23H23N5O2.C22H28N4O5.C22H26N4O4.C17H18N4O2.C14H17N3O4.C8H15NO4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35;1-3-30-19-10-8-18(9-11-19)28-22(16(2)26-15-17-6-4-12-24-14-17)27-21-20(23(28)29)7-5-13-25-21;1-6-30-16-11-9-15(10-12-16)25-20(28)17-8-7-13-23-18(17)26-19(27)14(2)24-21(29)31-22(3,4)5;1-6-29-16-11-9-15(10-12-16)26-19(14(2)24-21(28)30-22(3,4)5)25-18-17(20(26)27)8-7-13-23-18;1-3-23-13-8-6-12(7-9-13)21-16(11(2)18)20-15-14(17(21)22)5-4-10-19-15;1-8(16-13(19)21-14(2,3)4)11-17-10-9(12(18)20-11)6-5-7-15-10;1-5(6(10)11)9-7(12)13-8(2,3)4/h4-17,19,21H,3,18,20H2,1-2H3;4-14,16,26H,3,15H2,1-2H3;7-14H,6H2,1-5H3,(H,24,29)(H,25,28)(H,23,26,27);7-14H,6H2,1-5H3,(H,24,28);4-11H,3,18H2,1-2H3;5-8H,1-4H3,(H,16,19);5H,1-4H3,(H,9,12)(H,10,11)/t21-;16-;;14-;11-;8-;5-/m11.1111/s1
InChIKeyLVELTTAWEXLSDZ-WAVXLLIWSA-N
XLogP21.93
TPSA648.34 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds37
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002634.91
LogP ≤ 521.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid with MolForge

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Related Compounds

US20230339891, Example 93
CID 169490150
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 134146441
N-[3-fluoro-4-[[2-(3-morpholin-4-ylpropylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 177642782
2-[Isopropyl-(4-methylbenzoyl)amino]-5-[[5-[[(6-morpholino-3-pyridyl)amino]methyl]-3-(trifluoromethyl)-2-pyridyl]oxy]benzoic acid
CID 49773112
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60110253
N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
CID 87192323
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-[2-(4-fluorophenyl)ethoxy]-2-pyridinyl]piperidin-3-yl]-3-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(3-methylbutoxy)-2-pyridinyl]piperidin-3-yl]-4-[2-[(3S)-1-[5-(cyclohexylcarbamoyl)-2-pyridinyl]piperidin-3-yl]acetyl]oxy-4-oxobutanoic acid
CID 87318979
Ethyl 6-[4-(benzylcarbamoyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate;ethyl 5-cyano-6-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate;2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87607638
[4-(1,1-difluoroethyl)-3-pyridinyl]-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;bis([(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone)
CID 91295076
2-[6-[[6-(4-Fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoylamino]-3-[4-[3-[[6-(methylamino)pyridine-3-carbonyl]amino]propoxy]phenyl]propanoic acid
CID 141902089
phenyl 2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate
CID 156106822
phenyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate
CID 156106832

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 159465983) is 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](C)N)nc3ncccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](C)NC(=O)OC(C)(C)C)nc3ncccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](C)NCc3cccnc3)nc3ncccc3c2=O)cc1.CCOc1ccc(NC(=O)c2cccnc2NC(=O)C(C)NC(=O)OC(C)(C)C)cc1.C[C@@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@@H](NC(=O)OC(C)(C)C)c1nc2ncccc2c(=O)o1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is LVELTTAWEXLSDZ-WAVXLLIWSA-N. The full InChI is InChI=1S/C32H28F3N5O4.C23H23N5O2.C22H28N4O5.C22H26N4O4.C17H18N4O2.C14H17N3O4.C8H15NO4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35;1-3-30-19-10-8-18(9-11-19)28-22(16(2)26-15-17-6-4-12-24-14-17)27-21-20(23(28)29)7-5-13-25-21;1-6-30-16-11-9-15(10-12-16)25-20(28)17-8-7-13-23-18(17)26-19(27)14(2)24-21(29)31-22(3,4)5;1-6-29-16-11-9-15(10-12-16)26-19(14(2)24-21(28)30-22(3,4)5)25-18-17(20(26)27)8-7-13-23-18;1-3-23-13-8-6-12(7-9-13)21-16(11(2)18)20-15-14(17(21)22)5-4-10-19-15;1-8(16-13(19)21-14(2,3)4)11-17-10-9(12(18)20-11)6-5-7-15-10;1-5(6(10)11)9-7(12)13-8(2,3)4/h4-17,19,21H,3,18,20H2,1-2H3;4-14,16,26H,3,15H2,1-2H3;7-14H,6H2,1-5H3,(H,24,29)(H,25,28)(H,23,26,27);7-14H,6H2,1-5H3,(H,24,28);4-11H,3,18H2,1-2H3;5-8H,1-4H3,(H,16,19);5H,1-4H3,(H,9,12)(H,10,11)/t21-;16-;;14-;11-;8-;5-/m11.1111/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 2634.91 g/mol, XLogP of 21.93, 37 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4-one;tert-butyl N-[1-[[3-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate;tert-butyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;3-(4-ethoxyphenyl)-2-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 159465983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).