1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine

C222H269N43O6S — CID 158972475

IUPAC1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
SMILESCC(C)(C)c1cncc2cccnc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1nccc2cccnc12.CC(C)(C)c1ncnc2cccnc12.CC(C)c1cc2c(cn1)C(=O)N(C)CC2.CC(C)c1cccc2c1C(=O)N(C)C2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cncnc12.CC(C)c1cccc2nccnc12.CC(C)c1cccc2ncn(C)c(=O)c12.CC(C)c1ccnc2cccnc12.CC(C)c1ccnc2nccnc12.CC(C)c1cncc2nccnc12.CC(C)c1nc2c(s1)CN(C)CC2.CC(C)c1nccc2c1C(=O)N(C)CC2.CC(C)c1nccc2c1NCCN2.CC(C)c1nccc2c1OCCN2.CC(C)c1nccc2ccn(C)c(=O)c12.CC(C)c1nccc2nccnc12.CC(C)c1nccn2ccnc12
InChIInChI=1S/C13H15N.C12H16N2O.C12H14N2O.C12H16N2O.C12H14N2O.2C12H14N2.C12H15NO.C12H13N.C11H13N3.3C11H12N2.C10H11N3.C10H15N3.2C10H11N3.C10H14N2O.C10H16N2S.C9H11N3/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;2*1-8(2)11-10-9(4-6-13-11)5-7-14(3)12(10)15;1-8(2)11-6-9-4-5-14(3)12(15)10(9)7-13-11;1-8(2)9-5-4-6-10-11(9)12(15)14(3)7-13-10;1-12(2,3)11-10-9(6-8-14-11)5-4-7-13-10;1-12(2,3)10-8-13-7-9-5-4-6-14-11(9)10;1-8(2)10-6-4-5-9-7-13(3)12(14)11(9)10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-11(2,3)10-9-8(13-7-14-10)5-4-6-12-9;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-7(2)8-5-11-6-9-10(8)13-4-3-12-9;2*1-7(2)9-10-8(3-4-12-9)11-5-6-13-10;1-7(2)8-3-4-12-10-9(8)11-5-6-13-10;1-7(2)9-10-8(3-4-12-9)11-5-6-13-10;1-7(2)10-11-8-4-5-12(3)6-9(8)13-10;1-7(2)8-9-11-4-6-12(9)5-3-10-8/h4-9H,1-3H3;4,6,8H,5,7H2,1-3H3;4-8H,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;4-6,8H,7H2,1-3H3;3-9H,1-2H3;4-7H,1-3H3;3*3-8H,1-2H3;3-7H,1-2H3;3-4,7,11,13H,5-6H2,1-2H3;2*3-7H,1-2H3;3-4,7,11H,5-6H2,1-2H3;7H,4-6H2,1-3H3;3-7H,1-2H3
InChIKeyJNZGXXOKKWYVQK-UHFFFAOYSA-N
MW3667.96 g/mol
LogP48.11
Rot. Bonds16

About 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine

1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine (PubChem CID 158972475) has the molecular formula C222H269N43O6S and a molecular weight of 3667.96 g/mol. Its IUPAC name is 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
PubChem CID158972475
Molecular FormulaC222H269N43O6S
Molecular Weight3667.96 g/mol
Exact Mass3665.18
IUPAC Name1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
SMILESCC(C)(C)c1cncc2cccnc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1nccc2cccnc12.CC(C)(C)c1ncnc2cccnc12.CC(C)c1cc2c(cn1)C(=O)N(C)CC2.CC(C)c1cccc2c1C(=O)N(C)C2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cncnc12.CC(C)c1cccc2nccnc12.CC(C)c1cccc2ncn(C)c(=O)c12.CC(C)c1ccnc2cccnc12.CC(C)c1ccnc2nccnc12.CC(C)c1cncc2nccnc12.CC(C)c1nc2c(s1)CN(C)CC2.CC(C)c1nccc2c1C(=O)N(C)CC2.CC(C)c1nccc2c1NCCN2.CC(C)c1nccc2c1OCCN2.CC(C)c1nccc2ccn(C)c(=O)c12.CC(C)c1nccc2nccnc12.CC(C)c1nccn2ccnc12
InChIInChI=1S/C13H15N.C12H16N2O.C12H14N2O.C12H16N2O.C12H14N2O.2C12H14N2.C12H15NO.C12H13N.C11H13N3.3C11H12N2.C10H11N3.C10H15N3.2C10H11N3.C10H14N2O.C10H16N2S.C9H11N3/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;2*1-8(2)11-10-9(4-6-13-11)5-7-14(3)12(10)15;1-8(2)11-6-9-4-5-14(3)12(15)10(9)7-13-11;1-8(2)9-5-4-6-10-11(9)12(15)14(3)7-13-10;1-12(2,3)11-10-9(6-8-14-11)5-4-7-13-10;1-12(2,3)10-8-13-7-9-5-4-6-14-11(9)10;1-8(2)10-6-4-5-9-7-13(3)12(14)11(9)10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-11(2,3)10-9-8(13-7-14-10)5-4-6-12-9;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-7(2)8-5-11-6-9-10(8)13-4-3-12-9;2*1-7(2)9-10-8(3-4-12-9)11-5-6-13-10;1-7(2)8-3-4-12-10-9(8)11-5-6-13-10;1-7(2)9-10-8(3-4-12-9)11-5-6-13-10;1-7(2)10-11-8-4-5-12(3)6-9(8)13-10;1-7(2)8-9-11-4-6-12(9)5-3-10-8/h4-9H,1-3H3;4,6,8H,5,7H2,1-3H3;4-8H,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;4-6,8H,7H2,1-3H3;3-9H,1-2H3;4-7H,1-3H3;3*3-8H,1-2H3;3-7H,1-2H3;3-4,7,11,13H,5-6H2,1-2H3;2*3-7H,1-2H3;3-4,7,11H,5-6H2,1-2H3;7H,4-6H2,1-3H3;3-7H,1-2H3
InChIKeyJNZGXXOKKWYVQK-UHFFFAOYSA-N
XLogP48.11
TPSA583.27 Ų
H-Bond Donors3
H-Bond Acceptors47
Rotatable Bonds16
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003667.96
LogP ≤ 548.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1047

Analyze 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine with MolForge

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Related Compounds

5-[3-Benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 157146699
benzimidazolo[1,2-c]quinazoline;benzo[h]quinoline;1,3-benzothiazole;1,3-benzoxazole;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,10-phenanthroline;10H-phenothiazine;10H-phenoxazine
CID 157661411
8-(5,6-dimethyl-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methylpyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 157703202
4-Naphthalen-2-yl-2-propan-2-ylquinazoline;4-naphthalen-2-yl-2-propan-2-ylquinoline;4-(4-phenylphenyl)-2-propan-2-ylquinazoline;4-(4-phenylphenyl)-2-propan-2-ylquinoline;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinazoline;4-phenyl-2-propan-2-ylquinoline;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;8-(4-propan-2-ylphenyl)quinoline
CID 157864696
2-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;bis(6-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole);2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-propan-2-ylfuro[2,3-b]pyridine;3-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
CID 157916315
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide;4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 158110101
7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 158642782
6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-furo[2,3-b]pyridin-3-yl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one
CID 158726123
CID 158871944
CID 158871944
6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 159192595
4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 159271179
6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-(5,6,7,8-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-2-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-2-one
CID 159373539

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
The IUPAC name of 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine (CID 158972475) is 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
The canonical SMILES for 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine is CC(C)(C)c1cncc2cccnc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1nccc2cccnc12.CC(C)(C)c1ncnc2cccnc12.CC(C)c1cc2c(cn1)C(=O)N(C)CC2.CC(C)c1cccc2c1C(=O)N(C)C2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cncnc12.CC(C)c1cccc2nccnc12.CC(C)c1cccc2ncn(C)c(=O)c12.CC(C)c1ccnc2cccnc12.CC(C)c1ccnc2nccnc12.CC(C)c1cncc2nccnc12.CC(C)c1nc2c(s1)CN(C)CC2.CC(C)c1nccc2c1C(=O)N(C)CC2.CC(C)c1nccc2c1NCCN2.CC(C)c1nccc2c1OCCN2.CC(C)c1nccc2ccn(C)c(=O)c12.CC(C)c1nccc2nccnc12.CC(C)c1nccn2ccnc12.
What is the InChIKey of 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
The InChIKey is JNZGXXOKKWYVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H16N2O.C12H14N2O.C12H16N2O.C12H14N2O.2C12H14N2.C12H15NO.C12H13N.C11H13N3.3C11H12N2.C10H11N3.C10H15N3.2C10H11N3.C10H14N2O.C10H16N2S.C9H11N3/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;2*1-8(2)11-10-9(4-6-13-11)5-7-14(3)12(10)15;1-8(2)11-6-9-4-5-14(3)12(15)10(9)7-13-11;1-8(2)9-5-4-6-10-11(9)12(15)14(3)7-13-10;1-12(2,3)11-10-9(6-8-14-11)5-4-7-13-10;1-12(2,3)10-8-13-7-9-5-4-6-14-11(9)10;1-8(2)10-6-4-5-9-7-13(3)12(14)11(9)10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-11(2,3)10-9-8(13-7-14-10)5-4-6-12-9;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-7(2)8-5-11-6-9-10(8)13-4-3-12-9;2*1-7(2)9-10-8(3-4-12-9)11-5-6-13-10;1-7(2)8-3-4-12-10-9(8)11-5-6-13-10;1-7(2)9-10-8(3-4-12-9)11-5-6-13-10;1-7(2)10-11-8-4-5-12(3)6-9(8)13-10;1-7(2)8-9-11-4-6-12(9)5-3-10-8/h4-9H,1-3H3;4,6,8H,5,7H2,1-3H3;4-8H,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;4-6,8H,7H2,1-3H3;3-9H,1-2H3;4-7H,1-3H3;3*3-8H,1-2H3;3-7H,1-2H3;3-4,7,11,13H,5-6H2,1-2H3;2*3-7H,1-2H3;3-4,7,11H,5-6H2,1-2H3;7H,4-6H2,1-3H3;3-7H,1-2H3.
What are the key properties of 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine has a molecular weight of 3667.96 g/mol, XLogP of 48.11, 16 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylisoquinoline;8-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,7-naphthyridine;4-tert-butylpyrido[3,2-d]pyrimidine;2-methyl-6-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;2-methyl-8-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-methyl-8-propan-2-yl-2,7-naphthyridin-1-one;3-methyl-5-propan-2-ylquinazolin-4-one;5-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;8-propan-2-ylimidazo[1,2-a]pyrazine;4-propan-2-yl-1,5-naphthyridine;5-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylquinazoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;5-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 158972475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).