5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine

C230H289N55OS — CID 167532798

IUPAC5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1ccnc2c1CCC=N2.CC(C)c1ccnc2c1CCCN2.CC(C)c1ccnc2c1CCCN2.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1N=CCN2.CC(C)c1ccnc2c1OCCN2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cccnc12.CC(C)c1ccnc2ccncc12.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2nc[nH]c12.CC(C)c1ccnn2cccc12.CC(C)c1ccnn2ccnc12.CC(C)c1cncc2[nH]ccc12.CC(C)c1ncnc2[nH]ccc12.CC(C)c1ncnc2c1CCCN2.CC(C)c1ncnc2c1N=CCN2.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C12H13N.2C11H12N2.2C11H16N2.C11H14N2.C11H12N2.C10H13N3.C10H15N3.C10H14N2O.2C10H14N2.3C10H12N2.C10H11NS.C9H12N4.5C9H11N3.C8H10N4/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;3*1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-7(2)8-3-4-12-10-9(8)11-5-6-13-10;1-7(2)9-8-4-3-5-11-10(8)13-6-12-9;1-7(2)8-3-4-11-10-9(8)13-6-5-12-10;3*1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-8(2)9-5-6-11-12-7-3-4-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-6(2)7-8-9(13-5-12-7)11-4-3-10-8;1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-3-4-11-12-6-5-10-9(8)12;1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-5(2)6-7-8(11-3-9-6)12-4-10-7/h3-9H,1-2H3;2*3-8H,1-2H3;2*5,7-8H,3-4,6H2,1-2H3,(H,12,13);5-8H,3-4H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);6-7H,3-5H2,1-2H3,(H,11,12,13);3-4,7H,5-6H2,1-2H3,(H,11,12);2*3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);2*3-7H,1-2H3;3*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyAEVFIKZMTOXSIE-UHFFFAOYSA-N
MW3872.29 g/mol
LogP54.65
Rot. Bonds23

About 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine

5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine (PubChem CID 167532798) has the molecular formula C230H289N55OS and a molecular weight of 3872.29 g/mol. Its IUPAC name is 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine
PubChem CID167532798
Molecular FormulaC230H289N55OS
Molecular Weight3872.29 g/mol
Exact Mass3869.40
IUPAC Name5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1ccnc2c1CCC=N2.CC(C)c1ccnc2c1CCCN2.CC(C)c1ccnc2c1CCCN2.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1N=CCN2.CC(C)c1ccnc2c1OCCN2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cccnc12.CC(C)c1ccnc2ccncc12.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2nc[nH]c12.CC(C)c1ccnn2cccc12.CC(C)c1ccnn2ccnc12.CC(C)c1cncc2[nH]ccc12.CC(C)c1ncnc2[nH]ccc12.CC(C)c1ncnc2c1CCCN2.CC(C)c1ncnc2c1N=CCN2.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C12H13N.2C11H12N2.2C11H16N2.C11H14N2.C11H12N2.C10H13N3.C10H15N3.C10H14N2O.2C10H14N2.3C10H12N2.C10H11NS.C9H12N4.5C9H11N3.C8H10N4/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;3*1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-7(2)8-3-4-12-10-9(8)11-5-6-13-10;1-7(2)9-8-4-3-5-11-10(8)13-6-12-9;1-7(2)8-3-4-11-10-9(8)13-6-5-12-10;3*1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-8(2)9-5-6-11-12-7-3-4-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-6(2)7-8-9(13-5-12-7)11-4-3-10-8;1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-3-4-11-12-6-5-10-9(8)12;1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-5(2)6-7-8(11-3-9-6)12-4-10-7/h3-9H,1-2H3;2*3-8H,1-2H3;2*5,7-8H,3-4,6H2,1-2H3,(H,12,13);5-8H,3-4H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);6-7H,3-5H2,1-2H3,(H,11,12,13);3-4,7H,5-6H2,1-2H3,(H,11,12);2*3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);2*3-7H,1-2H3;3*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyAEVFIKZMTOXSIE-UHFFFAOYSA-N
XLogP54.65
TPSA701.67 Ų
H-Bond Donors14
H-Bond Acceptors51
Rotatable Bonds23
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003872.29
LogP ≤ 554.65
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1051

Analyze 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine?
The IUPAC name of 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine (CID 167532798) is 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine?
The canonical SMILES for 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine is CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1ccnc2c1CCC=N2.CC(C)c1ccnc2c1CCCN2.CC(C)c1ccnc2c1CCCN2.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1N=CCN2.CC(C)c1ccnc2c1OCCN2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cccnc12.CC(C)c1ccnc2ccncc12.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2nc[nH]c12.CC(C)c1ccnn2cccc12.CC(C)c1ccnn2ccnc12.CC(C)c1cncc2[nH]ccc12.CC(C)c1ncnc2[nH]ccc12.CC(C)c1ncnc2c1CCCN2.CC(C)c1ncnc2c1N=CCN2.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2nc[nH]c12.
What is the InChIKey of 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine?
The InChIKey is AEVFIKZMTOXSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.2C11H12N2.2C11H16N2.C11H14N2.C11H12N2.C10H13N3.C10H15N3.C10H14N2O.2C10H14N2.3C10H12N2.C10H11NS.C9H12N4.5C9H11N3.C8H10N4/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;3*1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-7(2)8-3-4-12-10-9(8)11-5-6-13-10;1-7(2)9-8-4-3-5-11-10(8)13-6-12-9;1-7(2)8-3-4-11-10-9(8)13-6-5-12-10;3*1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-8(2)9-5-6-11-12-7-3-4-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-6(2)7-8-9(13-5-12-7)11-4-3-10-8;1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-3-4-11-12-6-5-10-9(8)12;1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-5(2)6-7-8(11-3-9-6)12-4-10-7/h3-9H,1-2H3;2*3-8H,1-2H3;2*5,7-8H,3-4,6H2,1-2H3,(H,12,13);5-8H,3-4H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);6-7H,3-5H2,1-2H3,(H,11,12,13);3-4,7H,5-6H2,1-2H3,(H,11,12);2*3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);2*3-7H,1-2H3;3*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine?
5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine has a molecular weight of 3872.29 g/mol, XLogP of 54.65, 23 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,4-dihydro-1,8-naphthyridine;4-propan-2-yl-7,8-dihydropteridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;8-propan-2-yl-3,4-dihydropyrido[2,3-b]pyrazine;bis(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine);8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-7H-purine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;bis(5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);4-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 167532798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).