6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine

C150H193N15O8 — CID 157343969

IUPAC6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2cn[nH]c2c1.CCc1nc2ccc(C(C)(C)C)cc2[nH]1.COc1cc(C(C)(C)C)cc2c(OC)cccc12.COc1cc(C(C)(C)C)cc2c1c(C)cn2C1CC1.COc1cc(C(C)(C)C)nc2c(C3CC3)cccc12.COc1cc(C(C)(C)C)nc2c(OC)cccc12.COc1ccc2ncc(C(C)(C)C)cc2c1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cn1c(=O)[nH]c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H23NO.C17H21NO.C16H20O2.C15H19NO2.C14H17NO.C13H18N2.C12H16N2O.C12H16N2.C12H15N.2C11H14N2/c1-11-10-18(13-6-7-13)14-8-12(17(2,3)4)9-15(19-5)16(11)14;1-17(2,3)15-10-14(19-4)13-7-5-6-12(11-8-9-11)16(13)18-15;1-16(2,3)11-9-13-12(15(10-11)18-5)7-6-8-14(13)17-4;1-15(2,3)13-9-12(18-5)10-7-6-8-11(17-4)14(10)16-13;1-14(2,3)11-7-10-8-12(16-4)5-6-13(10)15-9-11;1-5-12-14-10-7-6-9(13(2,3)4)8-11(10)15-12;1-12(2,3)8-5-6-9-10(7-8)14(4)11(15)13-9;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h8-10,13H,6-7H2,1-5H3;5-7,10-11H,8-9H2,1-4H3;6-10H,1-5H3;6-9H,1-5H3;5-9H,1-4H3;6-8H,5H2,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,15);5-7H,1-4H3,(H,13,14);4-6,8H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3
InChIKeyBGSRNPZIXQXGSZ-UHFFFAOYSA-N
MW2334.29 g/mol
LogP37.65
Rot. Bonds10

About 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine

6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 157343969) has the molecular formula C150H193N15O8 and a molecular weight of 2334.29 g/mol. Its IUPAC name is 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID157343969
Molecular FormulaC150H193N15O8
Molecular Weight2334.29 g/mol
Exact Mass2332.52
IUPAC Name6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2cn[nH]c2c1.CCc1nc2ccc(C(C)(C)C)cc2[nH]1.COc1cc(C(C)(C)C)cc2c(OC)cccc12.COc1cc(C(C)(C)C)cc2c1c(C)cn2C1CC1.COc1cc(C(C)(C)C)nc2c(C3CC3)cccc12.COc1cc(C(C)(C)C)nc2c(OC)cccc12.COc1ccc2ncc(C(C)(C)C)cc2c1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cn1c(=O)[nH]c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H23NO.C17H21NO.C16H20O2.C15H19NO2.C14H17NO.C13H18N2.C12H16N2O.C12H16N2.C12H15N.2C11H14N2/c1-11-10-18(13-6-7-13)14-8-12(17(2,3)4)9-15(19-5)16(11)14;1-17(2,3)15-10-14(19-4)13-7-5-6-12(11-8-9-11)16(13)18-15;1-16(2,3)11-9-13-12(15(10-11)18-5)7-6-8-14(13)17-4;1-15(2,3)13-9-12(18-5)10-7-6-8-11(17-4)14(10)16-13;1-14(2,3)11-7-10-8-12(16-4)5-6-13(10)15-9-11;1-5-12-14-10-7-6-9(13(2,3)4)8-11(10)15-12;1-12(2,3)8-5-6-9-10(7-8)14(4)11(15)13-9;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h8-10,13H,6-7H2,1-5H3;5-7,10-11H,8-9H2,1-4H3;6-10H,1-5H3;6-9H,1-5H3;5-9H,1-4H3;6-8H,5H2,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,15);5-7H,1-4H3,(H,13,14);4-6,8H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3
InChIKeyBGSRNPZIXQXGSZ-UHFFFAOYSA-N
XLogP37.65
TPSA273.08 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.29
LogP ≤ 537.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

US20240150366, Example 9
CID 164875490
US20240150366, Example 10
CID 171918777
3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139543538
CID 158045216
CID 158045216
3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[3-cyclopropyl-1-[7-(1-methylpyrrol-3-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methyl 1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 158056799
CID 159341446
CID 159341446
CID 160883380
CID 160883380
CID 160897951
CID 160897951
3-[[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]methyl]-1-methylimidazo[4,5-b]pyrazin-2-one
CID 164875460
1-[[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[[(5R)-5,6,7,8-tetrahydroisoquinolin-5-yl]oxy]quinazolin-8-yl]oxymethyl]phenyl]methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 164875469
6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline
CID 164875470
1-[[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2-propan-2-yl-3-pyridinyl)methoxy]quinazolin-8-yl]oxymethyl]phenyl]methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 164875483

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine (CID 157343969) is 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine is CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2cn[nH]c2c1.CCc1nc2ccc(C(C)(C)C)cc2[nH]1.COc1cc(C(C)(C)C)cc2c(OC)cccc12.COc1cc(C(C)(C)C)cc2c1c(C)cn2C1CC1.COc1cc(C(C)(C)C)nc2c(C3CC3)cccc12.COc1cc(C(C)(C)C)nc2c(OC)cccc12.COc1ccc2ncc(C(C)(C)C)cc2c1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cn1c(=O)[nH]c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is BGSRNPZIXQXGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO.C17H21NO.C16H20O2.C15H19NO2.C14H17NO.C13H18N2.C12H16N2O.C12H16N2.C12H15N.2C11H14N2/c1-11-10-18(13-6-7-13)14-8-12(17(2,3)4)9-15(19-5)16(11)14;1-17(2,3)15-10-14(19-4)13-7-5-6-12(11-8-9-11)16(13)18-15;1-16(2,3)11-9-13-12(15(10-11)18-5)7-6-8-14(13)17-4;1-15(2,3)13-9-12(18-5)10-7-6-8-11(17-4)14(10)16-13;1-14(2,3)11-7-10-8-12(16-4)5-6-13(10)15-9-11;1-5-12-14-10-7-6-9(13(2,3)4)8-11(10)15-12;1-12(2,3)8-5-6-9-10(7-8)14(4)11(15)13-9;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h8-10,13H,6-7H2,1-5H3;5-7,10-11H,8-9H2,1-4H3;6-10H,1-5H3;6-9H,1-5H3;5-9H,1-4H3;6-8H,5H2,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,15);5-7H,1-4H3,(H,13,14);4-6,8H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3.
What are the key properties of 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine?
6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 2334.29 g/mol, XLogP of 37.65, 10 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-cyclopropyl-4-methoxy-3-methylindole;2-tert-butyl-8-cyclopropyl-4-methoxyquinoline;3-tert-butyl-1,5-dimethoxynaphthalene;2-tert-butyl-4,8-dimethoxyquinoline;6-tert-butyl-2-ethyl-1H-benzimidazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;3-tert-butyl-6-methoxyquinoline;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 157343969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).