2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine

C₁₃₂H₁₅₇N₁₉O₄S₂ — CID 161051521

About 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine

2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine (PubChem CID 161051521) has the molecular formula C₁₃₂H₁₅₇N₁₉O₄S₂ and a molecular weight of 2137.97 g/mol. Its IUPAC name is 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine.

Molecular Properties

• Compound Name: 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine
• PubChem CID: 161051521
• Molecular Formula: C₁₃₂H₁₅₇N₁₉O₄S₂
• Molecular Weight: 2137.97 g/mol
• Exact Mass: 2136.21
• IUPAC Name: 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine
• SMILES: CC(C)(C)C1=NCC(c2ccncc2)=C1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)C=CC(=O)C2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cn2cc(C(N)=O)ccc2n1.CC(C)(C)c1cnc(-c2cccnc2)s1.CC(C)(C)c1nnn(-c2nonc2N)c1-c1ccccc1.Cc1nc(-c2ccncc2)sc1C(C)(C)C
• InChI: InChI=1S/C15H17N.C14H16N6O.2C14H16O.C13H16N2S.2C13H16N2.C12H15N3O.C12H14N2S.C12H15N/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)11-10(9-7-5-4-6-8-9)20(19-16-11)13-12(15)17-21-18-13;2*1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-9-11(13(2,3)4)16-12(15-9)10-5-7-14-8-6-10;1-13(2,3)12-8-11(9-15-12)10-4-6-14-7-5-10;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-12(2,3)9-7-15-6-8(11(13)16)4-5-10(15)14-9;1-12(2,3)10-8-14-11(15-10)9-5-4-6-13-7-9;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11/h4-11H,1-3H3;4-8H,1-3H3,(H2,15,17);4-8H,9H2,1-3H3;4-9,15H,1-3H3;5-8H,1-4H3;4-8H,9H2,1-3H3;4-9H,1-3H3,(H,14,15);4-7H,1-3H3,(H2,13,16);4-8H,1-3H3;4-6,8H,7H2,1-3H3
• InChIKey: UCEVYSFBGLQGAW-UHFFFAOYSA-N
• XLogP: 31.51
• TPSA: 324.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.97
LogP ≤ 5	31.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine?

The IUPAC name of 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine (CID 161051521) is 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine.

What is the SMILES notation for 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine?

The canonical SMILES for 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine is CC(C)(C)C1=NCC(c2ccncc2)=C1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)C=CC(=O)C2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cn2cc(C(N)=O)ccc2n1.CC(C)(C)c1cnc(-c2cccnc2)s1.CC(C)(C)c1nnn(-c2nonc2N)c1-c1ccccc1.Cc1nc(-c2ccncc2)sc1C(C)(C)C.

What is the InChIKey of 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine?

The InChIKey is UCEVYSFBGLQGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C14H16N6O.2C14H16O.C13H16N2S.2C13H16N2.C12H15N3O.C12H14N2S.C12H15N/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)11-10(9-7-5-4-6-8-9)20(19-16-11)13-12(15)17-21-18-13;2*1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-9-11(13(2,3)4)16-12(15-9)10-5-7-14-8-6-10;1-13(2,3)12-8-11(9-15-12)10-4-6-14-7-5-10;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-12(2,3)9-7-15-6-8(11(13)16)4-5-10(15)14-9;1-12(2,3)10-8-14-11(15-10)9-5-4-6-13-7-9;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11/h4-11H,1-3H3;4-8H,1-3H3,(H2,15,17);4-8H,9H2,1-3H3;4-9,15H,1-3H3;5-8H,1-4H3;4-8H,9H2,1-3H3;4-9H,1-3H3,(H,14,15);4-7H,1-3H3,(H2,13,16);4-8H,1-3H3;4-6,8H,7H2,1-3H3.

What are the key properties of 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine?

2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine has a molecular weight of 2137.97 g/mol, XLogP of 31.51, 8 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylimidazo[1,2-a]pyridine-6-carboxamide;5-tert-butyl-1H-isoindole;5-tert-butyl-4-methyl-2-pyridin-4-yl-1,3-thiazole;6-tert-butylnaphthalen-2-ol;6-tert-butyl-1H-naphthalen-2-one;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)pyridine;4-(4-tert-butyl-5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;4-(5-tert-butyl-2H-pyrrol-3-yl)pyridine is sourced from PubChem (CID 161051521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161051521 — identifiers, structure, computed properties (public domain)

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