4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C139H140F3N33O18S6 — CID 158447000

IUPAC4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2cc(C(C)(C)C)ncn2)s1.C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2cccc(C(C)(C)C)c2)s1.C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2ccnc(C(C)(C)C)n2)s1.Cc1cc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)ncn1.Cc1ccnc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)n1.Cc1ncc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)cc1C(F)(F)F
InChIInChI=1S/C26H28N4O3S.2C24H26N6O3S.C23H20F3N5O3S.2C21H20N6O3S/c1-15(10-20(32)23-18-8-9-22(33)30-24(18)29-14-28-23)25-27-13-21(34-25)19(31)12-16-6-5-7-17(11-16)26(2,3)4;1-13(7-17(32)21-15-5-6-20(33)30-22(15)29-12-28-21)23-25-10-18(34-23)16(31)8-14-9-19(24(2,3)4)27-11-26-14;1-13(9-17(32)20-15-5-6-19(33)30-21(15)28-12-27-20)22-26-11-18(34-22)16(31)10-14-7-8-25-23(29-14)24(2,3)4;1-11(5-17(33)20-14-3-4-19(34)31-21(14)30-10-29-20)22-28-9-18(35-22)16(32)7-13-6-15(23(24,25)26)12(2)27-8-13;1-11(5-16(29)19-14-3-4-18(30)27-20(14)26-10-25-19)21-22-8-17(31-21)15(28)7-13-6-12(2)23-9-24-13;1-11(7-15(29)19-13-3-4-18(30)27-20(13)25-10-24-19)21-23-9-16(31-21)14(28)8-17-22-6-5-12(2)26-17/h5-7,11,13-15H,8-10,12H2,1-4H3,(H,28,29,30,33);9-13H,5-8H2,1-4H3,(H,28,29,30,33);7-8,11-13H,5-6,9-10H2,1-4H3,(H,27,28,30,33);6,8-11H,3-5,7H2,1-2H3,(H,29,30,31,34);6,8-11H,3-5,7H2,1-2H3,(H,25,26,27,30);5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,25,27,30)/t15-;2*13-;3*11-/m000000/s1
InChIKeyHDMZAQZCCXVWTC-KCKKVCEISA-N
MW2810.26 g/mol
LogP22.11
Rot. Bonds42

About 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158447000) has the molecular formula C139H140F3N33O18S6 and a molecular weight of 2810.26 g/mol. Its IUPAC name is 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID158447000
Molecular FormulaC139H140F3N33O18S6
Molecular Weight2810.26 g/mol
Exact Mass2807.93
IUPAC Name4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2cc(C(C)(C)C)ncn2)s1.C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2cccc(C(C)(C)C)c2)s1.C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2ccnc(C(C)(C)C)n2)s1.Cc1cc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)ncn1.Cc1ccnc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)n1.Cc1ncc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)cc1C(F)(F)F
InChIInChI=1S/C26H28N4O3S.2C24H26N6O3S.C23H20F3N5O3S.2C21H20N6O3S/c1-15(10-20(32)23-18-8-9-22(33)30-24(18)29-14-28-23)25-27-13-21(34-25)19(31)12-16-6-5-7-17(11-16)26(2,3)4;1-13(7-17(32)21-15-5-6-20(33)30-22(15)29-12-28-21)23-25-10-18(34-23)16(31)8-14-9-19(24(2,3)4)27-11-26-14;1-13(9-17(32)20-15-5-6-19(33)30-21(15)28-12-27-20)22-26-11-18(34-22)16(31)10-14-7-8-25-23(29-14)24(2,3)4;1-11(5-17(33)20-14-3-4-19(34)31-21(14)30-10-29-20)22-28-9-18(35-22)16(32)7-13-6-15(23(24,25)26)12(2)27-8-13;1-11(5-16(29)19-14-3-4-18(30)27-20(14)26-10-25-19)21-22-8-17(31-21)15(28)7-13-6-12(2)23-9-24-13;1-11(7-15(29)19-13-3-4-18(30)27-20(13)25-10-24-19)21-23-9-16(31-21)14(28)8-17-22-6-5-12(2)26-17/h5-7,11,13-15H,8-10,12H2,1-4H3,(H,28,29,30,33);9-13H,5-8H2,1-4H3,(H,28,29,30,33);7-8,11-13H,5-6,9-10H2,1-4H3,(H,27,28,30,33);6,8-11H,3-5,7H2,1-2H3,(H,29,30,31,34);6,8-11H,3-5,7H2,1-2H3,(H,25,26,27,30);5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,25,27,30)/t15-;2*13-;3*11-/m000000/s1
InChIKeyHDMZAQZCCXVWTC-KCKKVCEISA-N
XLogP22.11
TPSA727.47 Ų
H-Bond Donors6
H-Bond Acceptors51
Rotatable Bonds42
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002810.26
LogP ≤ 522.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1051

Analyze 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 158447000) is 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2cc(C(C)(C)C)ncn2)s1.C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2cccc(C(C)(C)C)c2)s1.C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2ccnc(C(C)(C)C)n2)s1.Cc1cc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)ncn1.Cc1ccnc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)n1.Cc1ncc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)cc1C(F)(F)F.
What is the InChIKey of 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HDMZAQZCCXVWTC-KCKKVCEISA-N. The full InChI is InChI=1S/C26H28N4O3S.2C24H26N6O3S.C23H20F3N5O3S.2C21H20N6O3S/c1-15(10-20(32)23-18-8-9-22(33)30-24(18)29-14-28-23)25-27-13-21(34-25)19(31)12-16-6-5-7-17(11-16)26(2,3)4;1-13(7-17(32)21-15-5-6-20(33)30-22(15)29-12-28-21)23-25-10-18(34-23)16(31)8-14-9-19(24(2,3)4)27-11-26-14;1-13(9-17(32)20-15-5-6-19(33)30-21(15)28-12-27-20)22-26-11-18(34-22)16(31)10-14-7-8-25-23(29-14)24(2,3)4;1-11(5-17(33)20-14-3-4-19(34)31-21(14)30-10-29-20)22-28-9-18(35-22)16(32)7-13-6-15(23(24,25)26)12(2)27-8-13;1-11(5-16(29)19-14-3-4-18(30)27-20(14)26-10-25-19)21-22-8-17(31-21)15(28)7-13-6-12(2)23-9-24-13;1-11(7-15(29)19-13-3-4-18(30)27-20(13)25-10-24-19)21-23-9-16(31-21)14(28)8-17-22-6-5-12(2)26-17/h5-7,11,13-15H,8-10,12H2,1-4H3,(H,28,29,30,33);9-13H,5-8H2,1-4H3,(H,28,29,30,33);7-8,11-13H,5-6,9-10H2,1-4H3,(H,27,28,30,33);6,8-11H,3-5,7H2,1-2H3,(H,29,30,31,34);6,8-11H,3-5,7H2,1-2H3,(H,25,26,27,30);5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,25,27,30)/t15-;2*13-;3*11-/m000000/s1.
What are the key properties of 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2810.26 g/mol, XLogP of 22.11, 42 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158447000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).