6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one

C172H211Cl2N17O5S5 — CID 157229925

About 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one

6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one (PubChem CID 157229925) has the molecular formula C172H211Cl2N17O5S5 and a molecular weight of 2827.93 g/mol. Its IUPAC name is 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one
• PubChem CID: 157229925
• Molecular Formula: C172H211Cl2N17O5S5
• Molecular Weight: 2827.93 g/mol
• Exact Mass: 2824.48
• IUPAC Name: 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one
• SMILES: C=C1c2cc(C)oc2C=CN1C(C)(C)C.C=C1c2cc(C)sc2C=CN1C(C)(C)C.C=C1c2ccc(C)cc2C=CN1C(C)(C)C.C=C1c2ccccc2C=CN1C(C)(C)C.C=C1c2cccnc2C=CN1C(C)(C)C.C=C1c2cccnc2C=CN1C(C)(C)C.C=C1c2ncccc2C=CN1C(C)(C)C.C=C1c2occc2C=CN1C(C)(C)C.C=C1c2sccc2C(C#CCNC(=O)C(Cl)Cl)=CN1C(C)(C)C.C=C1c2sccc2C=CN1C(C)(C)C.C=C1c2sccc2C=CN1C(C)(C)C.CC(C)(C)n1ccc2sccc2c1=O.Cc1ccc2ccn(C(C)(C)C)c(=O)c2c1
• InChI: InChI=1S/C17H18Cl2N2OS.C15H19N.C14H17NO.C14H17N.3C13H16N2.C13H17NO.C13H17NS.C12H15NO.2C12H15NS.C11H13NOS/c1-11-14-13(7-9-23-14)12(10-21(11)17(2,3)4)6-5-8-20-16(22)15(18)19;1-11-6-7-14-12(2)16(15(3,4)5)9-8-13(14)10-11;1-10-5-6-11-7-8-15(14(2,3)4)13(16)12(11)9-10;1-11-13-8-6-5-7-12(13)9-10-15(11)14(2,3)4;2*1-10-11-6-5-8-14-12(11)7-9-15(10)13(2,3)4;1-10-12-11(6-5-8-14-12)7-9-15(10)13(2,3)4;2*1-9-8-11-10(2)14(13(3,4)5)7-6-12(11)15-9;3*1-9-11-10(6-8-14-11)5-7-13(9)12(2,3)4;1-11(2,3)12-6-4-9-8(10(12)13)5-7-14-9/h7,9-10,15H,1,8H2,2-4H3,(H,20,22);6-10H,2H2,1,3-5H3;5-9H,1-4H3;5-10H,1H2,2-4H3;3*5-9H,1H2,2-4H3;2*6-8H,2H2,1,3-5H3;3*5-8H,1H2,2-4H3;4-7H,1-3H3
• InChIKey: ATZFLVKTDPIJIJ-UHFFFAOYSA-N
• XLogP: 45.88
• TPSA: 173.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 2
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2827.93
LogP ≤ 5	45.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one?

The IUPAC name of 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one (CID 157229925) is 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one.

What is the SMILES notation for 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one?

The canonical SMILES for 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one is C=C1c2cc(C)oc2C=CN1C(C)(C)C.C=C1c2cc(C)sc2C=CN1C(C)(C)C.C=C1c2ccc(C)cc2C=CN1C(C)(C)C.C=C1c2ccccc2C=CN1C(C)(C)C.C=C1c2cccnc2C=CN1C(C)(C)C.C=C1c2cccnc2C=CN1C(C)(C)C.C=C1c2ncccc2C=CN1C(C)(C)C.C=C1c2occc2C=CN1C(C)(C)C.C=C1c2sccc2C(C#CCNC(=O)C(Cl)Cl)=CN1C(C)(C)C.C=C1c2sccc2C=CN1C(C)(C)C.C=C1c2sccc2C=CN1C(C)(C)C.CC(C)(C)n1ccc2sccc2c1=O.Cc1ccc2ccn(C(C)(C)C)c(=O)c2c1.

What is the InChIKey of 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one?

The InChIKey is ATZFLVKTDPIJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2OS.C15H19N.C14H17NO.C14H17N.3C13H16N2.C13H17NO.C13H17NS.C12H15NO.2C12H15NS.C11H13NOS/c1-11-14-13(7-9-23-14)12(10-21(11)17(2,3)4)6-5-8-20-16(22)15(18)19;1-11-6-7-14-12(2)16(15(3,4)5)9-8-13(14)10-11;1-10-5-6-11-7-8-15(14(2,3)4)13(16)12(11)9-10;1-11-13-8-6-5-7-12(13)9-10-15(11)14(2,3)4;2*1-10-11-6-5-8-14-12(11)7-9-15(10)13(2,3)4;1-10-12-11(6-5-8-14-12)7-9-15(10)13(2,3)4;2*1-9-8-11-10(2)14(13(3,4)5)7-6-12(11)15-9;3*1-9-11-10(6-8-14-11)5-7-13(9)12(2,3)4;1-11(2,3)12-6-4-9-8(10(12)13)5-7-14-9/h7,9-10,15H,1,8H2,2-4H3,(H,20,22);6-10H,2H2,1,3-5H3;5-9H,1-4H3;5-10H,1H2,2-4H3;3*5-9H,1H2,2-4H3;2*6-8H,2H2,1,3-5H3;3*5-8H,1H2,2-4H3;4-7H,1-3H3.

What are the key properties of 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one?

6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one has a molecular weight of 2827.93 g/mol, XLogP of 45.88, 2 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 157229925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).