4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C220H259N41O6 — CID 161396379

IUPAC4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cnccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1cc2nccnc2cn1.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NC(=O)CC2.CC(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnc(=O)[nH]c2c1.CC(C)c1ccc2ncc(=O)[nH]c2c1.CC(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)c1cccc2c1NC(=O)C2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cn[nH]c12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2[nH]cnc12.CC(C)c1cncc2[nH]ncc12.CC(C)c1nccc2cccnc12
InChIInChI=1S/C12H13NO.C12H15NO.C12H17N.C12H13N.2C11H12N2O.2C11H12N2.C11H13NO.2C11H13N.C10H11N3.C10H12N2O.4C10H12N2.3C9H11N3.C8H10N4/c1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-8(2)10-4-3-9-5-6-12(14)13-11(9)7-10;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-7(2)8-3-4-9-10(5-8)13-11(14)6-12-9;1-7(2)8-3-4-9-6-12-11(14)13-10(9)5-8;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)10-11-9(5-7-13-10)4-3-6-12-11;1-7(2)9-5-3-4-8-6-10(13)12-11(8)9;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-5-9-10(6-13-8)12-4-3-11-9;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-12-10-6-11-4-3-8(9)10;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)7-3-10-4-8-9(7)12-5-11-8;1-6(2)7-3-10-5-9-8(7)4-11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-5(2)7-6-3-9-4-10-8(6)12-11-7/h3-8H,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;3-7H,1-2H3,(H,13,14);3-7H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-7H,1-2H3;3-6H,1-2H3,(H2,11,12,13);2*3-7,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-6H,1-2H3,(H,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyVTQPWFOTNOBBCF-UHFFFAOYSA-N
MW3573.77 g/mol
LogP52.24
Rot. Bonds21

About 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 161396379) has the molecular formula C220H259N41O6 and a molecular weight of 3573.77 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID161396379
Molecular FormulaC220H259N41O6
Molecular Weight3573.77 g/mol
Exact Mass3571.12
IUPAC Name4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cnccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1cc2nccnc2cn1.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NC(=O)CC2.CC(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnc(=O)[nH]c2c1.CC(C)c1ccc2ncc(=O)[nH]c2c1.CC(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)c1cccc2c1NC(=O)C2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cn[nH]c12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2[nH]cnc12.CC(C)c1cncc2[nH]ncc12.CC(C)c1nccc2cccnc12
InChIInChI=1S/C12H13NO.C12H15NO.C12H17N.C12H13N.2C11H12N2O.2C11H12N2.C11H13NO.2C11H13N.C10H11N3.C10H12N2O.4C10H12N2.3C9H11N3.C8H10N4/c1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-8(2)10-4-3-9-5-6-12(14)13-11(9)7-10;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-7(2)8-3-4-9-10(5-8)13-11(14)6-12-9;1-7(2)8-3-4-9-6-12-11(14)13-10(9)5-8;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)10-11-9(5-7-13-10)4-3-6-12-11;1-7(2)9-5-3-4-8-6-10(13)12-11(8)9;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-5-9-10(6-13-8)12-4-3-11-9;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-12-10-6-11-4-3-8(9)10;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)7-3-10-4-8-9(7)12-5-11-8;1-6(2)7-3-10-5-9-8(7)4-11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-5(2)7-6-3-9-4-10-8(6)12-11-7/h3-8H,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;3-7H,1-2H3,(H,13,14);3-7H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-7H,1-2H3;3-6H,1-2H3,(H2,11,12,13);2*3-7,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-6H,1-2H3,(H,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyVTQPWFOTNOBBCF-UHFFFAOYSA-N
XLogP52.24
TPSA671.83 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003573.77
LogP ≤ 552.24
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Analyze 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

N-isopropyl-2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazole-4-carboxamide
CID 135497869
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172442557
2-(5-isoquinolin-4-yl-1H-pyrazolo[5,4-b]pyridin-3-yl)-N-(2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 136068703
US20240025884, Example 477
CID 170672758
US20240025884, Example 329
CID 170672771
US20240025884, Example 426
CID 170672791
US20240025884, Example 423
CID 170672808
US20240025884, Example 466
CID 170672810
US20240025884, Example 319
CID 170672812
US20240025884, Example 436
CID 170672819
US20240025884, Example 396
CID 170672825
US20240025884, Example 442
CID 170672834

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 161396379) is 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cnccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1cc2nccnc2cn1.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NC(=O)CC2.CC(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnc(=O)[nH]c2c1.CC(C)c1ccc2ncc(=O)[nH]c2c1.CC(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)c1cccc2c1NC(=O)C2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cn[nH]c12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2[nH]cnc12.CC(C)c1cncc2[nH]ncc12.CC(C)c1nccc2cccnc12.
What is the InChIKey of 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VTQPWFOTNOBBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C12H15NO.C12H17N.C12H13N.2C11H12N2O.2C11H12N2.C11H13NO.2C11H13N.C10H11N3.C10H12N2O.4C10H12N2.3C9H11N3.C8H10N4/c1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-8(2)10-4-3-9-5-6-12(14)13-11(9)7-10;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-7(2)8-3-4-9-10(5-8)13-11(14)6-12-9;1-7(2)8-3-4-9-6-12-11(14)13-10(9)5-8;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)10-11-9(5-7-13-10)4-3-6-12-11;1-7(2)9-5-3-4-8-6-10(13)12-11(8)9;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-5-9-10(6-13-8)12-4-3-11-9;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-12-10-6-11-4-3-8(9)10;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)7-3-10-4-8-9(7)12-5-11-8;1-6(2)7-3-10-5-9-8(7)4-11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-5(2)7-6-3-9-4-10-8(6)12-11-7/h3-8H,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;3-7H,1-2H3,(H,13,14);3-7H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-7H,1-2H3;3-6H,1-2H3,(H2,11,12,13);2*3-7,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-6H,1-2H3,(H,11,12);3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 3573.77 g/mol, XLogP of 52.24, 21 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 161396379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).