4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole

C137H161F3N22O4 — CID 159712341

About 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole

4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole (PubChem CID 159712341) has the molecular formula C137H161F3N22O4 and a molecular weight of 2236.94 g/mol. Its IUPAC name is 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole.

Molecular Properties

• Compound Name: 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
• PubChem CID: 159712341
• Molecular Formula: C137H161F3N22O4
• Molecular Weight: 2236.94 g/mol
• Exact Mass: 2235.30
• IUPAC Name: 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
• SMILES: CC(C)(C)c1cccn2cc(C(=O)O)nc12.CC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.CNC(=O)c1ccc(-c2ncc3c(C(C)(C)C)cccc3c2F)cn1.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2cc3cncc(C(C)(C)C)c3cc2C(F)F)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3c2)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1
• InChI: InChI=1S/C20H20FN3O.C18H19F2N3.C18H25N3.C18H20N2.C17H21N3O.C17H19N3.C17H23N3.C12H14N2O2/c1-20(2,3)15-7-5-6-13-14(15)11-24-18(17(13)21)12-8-9-16(23-10-12)19(25)22-4;1-18(2,3)16-9-21-7-11-5-13(12-8-22-23(4)10-12)15(17(19)20)6-14(11)16;1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-17(2,3)15-7-5-6-12-10-20(16(21)8-14(12)15)13-9-18-19(4)11-13;1-17(2,3)15-7-5-6-12-8-16(18-10-14(12)15)13-9-19-20(4)11-13;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14/h5-11H,1-4H3,(H,22,25);5-10,17H,1-4H3;6-8,10,12-13H,9,11H2,1-5H3;5-12H,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-11H,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;4-7H,1-3H3,(H,15,16)
• InChIKey: MYZPHGORUWBTGO-UHFFFAOYSA-N
• XLogP: 29.52
• TPSA: 268.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2236.94
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole?

The IUPAC name of 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole (CID 159712341) is 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole.

What is the SMILES notation for 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole?

The canonical SMILES for 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole is CC(C)(C)c1cccn2cc(C(=O)O)nc12.CC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.CNC(=O)c1ccc(-c2ncc3c(C(C)(C)C)cccc3c2F)cn1.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2cc3cncc(C(C)(C)C)c3cc2C(F)F)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3c2)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.

What is the InChIKey of 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole?

The InChIKey is MYZPHGORUWBTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O.C18H19F2N3.C18H25N3.C18H20N2.C17H21N3O.C17H19N3.C17H23N3.C12H14N2O2/c1-20(2,3)15-7-5-6-13-14(15)11-24-18(17(13)21)12-8-9-16(23-10-12)19(25)22-4;1-18(2,3)16-9-21-7-11-5-13(12-8-22-23(4)10-12)15(17(19)20)6-14(11)16;1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-17(2,3)15-7-5-6-12-10-20(16(21)8-14(12)15)13-9-18-19(4)11-13;1-17(2,3)15-7-5-6-12-8-16(18-10-14(12)15)13-9-19-20(4)11-13;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14/h5-11H,1-4H3,(H,22,25);5-10,17H,1-4H3;6-8,10,12-13H,9,11H2,1-5H3;5-12H,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-11H,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;4-7H,1-3H3,(H,15,16).

What are the key properties of 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole?

4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole has a molecular weight of 2236.94 g/mol, XLogP of 29.52, 10 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole is sourced from PubChem (CID 159712341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).