4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine

C106H139ClN18O4S2 — CID 158481281

About 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine

4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158481281) has the molecular formula C106H139ClN18O4S2 and a molecular weight of 1828.99 g/mol. Its IUPAC name is 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158481281
• Molecular Formula: C106H139ClN18O4S2
• Molecular Weight: 1828.99 g/mol
• Exact Mass: 1827.04
• IUPAC Name: 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccnc(N)c1Cl.CC(C)(C)c1ccnc2[nH]ccc12.CCn1cnc(-c2cc3nccc(C(C)(C)C)c3s2)c1.COc1cc2c(C(C)(C)C)ccnc2cc1OCCCN1CCOCC1.COc1ccc2c(C(C)(C)C)ccnc2c1.Cc1[nH]nc2nccc(C(C)(C)C)c12.Cn1cnc(-c2cc3nccc(C(C)(C)C)c3s2)c1
• InChI: InChI=1S/C21H30N2O3.C16H19N3S.C15H17N3S.C14H17NO.C11H15N3.C11H14N2.C9H13ClN2.C9H14N2/c1-21(2,3)17-6-7-22-18-15-20(19(24-4)14-16(17)18)26-11-5-8-23-9-12-25-13-10-23;1-5-19-9-13(18-10-19)14-8-12-15(20-14)11(6-7-17-12)16(2,3)4;1-15(2,3)10-5-6-16-11-7-13(19-14(10)11)12-8-18(4)9-17-12;1-14(2,3)12-7-8-15-13-9-10(16-4)5-6-11(12)13;1-7-9-8(11(2,3)4)5-6-12-10(9)14-13-7;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-9(2,3)6-4-5-12-8(11)7(6)10;1-9(2,3)7-4-5-11-8(10)6-7/h6-7,14-15H,5,8-13H2,1-4H3;6-10H,5H2,1-4H3;5-9H,1-4H3;5-9H,1-4H3;5-6H,1-4H3,(H,12,13,14);4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H2,11,12);4-6H,1-3H3,(H2,10,11)
• InChIKey: HHNWDYMOLKSIEU-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 275.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.99
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine (CID 158481281) is 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccnc(N)c1Cl.CC(C)(C)c1ccnc2[nH]ccc12.CCn1cnc(-c2cc3nccc(C(C)(C)C)c3s2)c1.COc1cc2c(C(C)(C)C)ccnc2cc1OCCCN1CCOCC1.COc1ccc2c(C(C)(C)C)ccnc2c1.Cc1[nH]nc2nccc(C(C)(C)C)c12.Cn1cnc(-c2cc3nccc(C(C)(C)C)c3s2)c1.

What is the InChIKey of 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is HHNWDYMOLKSIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3.C16H19N3S.C15H17N3S.C14H17NO.C11H15N3.C11H14N2.C9H13ClN2.C9H14N2/c1-21(2,3)17-6-7-22-18-15-20(19(24-4)14-16(17)18)26-11-5-8-23-9-12-25-13-10-23;1-5-19-9-13(18-10-19)14-8-12-15(20-14)11(6-7-17-12)16(2,3)4;1-15(2,3)10-5-6-16-11-7-13(19-14(10)11)12-8-18(4)9-17-12;1-14(2,3)12-7-8-15-13-9-10(16-4)5-6-11(12)13;1-7-9-8(11(2,3)4)5-6-12-10(9)14-13-7;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-9(2,3)6-4-5-12-8(11)7(6)10;1-9(2,3)7-4-5-11-8(10)6-7/h6-7,14-15H,5,8-13H2,1-4H3;6-10H,5H2,1-4H3;5-9H,1-4H3;5-9H,1-4H3;5-6H,1-4H3,(H,12,13,14);4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H2,11,12);4-6H,1-3H3,(H2,10,11).

What are the key properties of 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine?

4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1828.99 g/mol, XLogP of 25.65, 10 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158481281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).