(1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene

C32H42FN5 — CID 154970045

About (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene

(1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene (PubChem CID 154970045) has the molecular formula C32H42FN5 and a molecular weight of 515.72 g/mol. Its IUPAC name is (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene.

Molecular Properties

• Compound Name: (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene
• PubChem CID: 154970045
• Molecular Formula: C32H42FN5
• Molecular Weight: 515.72 g/mol
• Exact Mass: 515.34
• IUPAC Name: (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene
• SMILES: C=C1CCc2ccc(F)cc2C(=C)N2CCCCC2C(=C)/C=C2/N=C(C3CCC3)C=C(N(C)CCN1)N2C
• InChI: InChI=1S/C32H42FN5/c1-22-19-31-35-29(26-9-8-10-26)21-32(37(31)5)36(4)18-16-34-23(2)12-13-25-14-15-27(33)20-28(25)24(3)38-17-7-6-11-30(22)38/h14-15,19-21,26,30,34H,1-3,6-13,16-18H2,4-5H3/b31-19-
• InChIKey: FUQCUGYVNROJDR-DXJNIWACSA-N
• XLogP: 6.06
• TPSA: 34.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.72
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene?

The IUPAC name of (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene (CID 154970045) is (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene.

What is the SMILES notation for (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene?

The canonical SMILES for (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene is C=C1CCc2ccc(F)cc2C(=C)N2CCCCC2C(=C)/C=C2/N=C(C3CCC3)C=C(N(C)CCN1)N2C.

What is the InChIKey of (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene?

The InChIKey is FUQCUGYVNROJDR-DXJNIWACSA-N. The full InChI is InChI=1S/C32H42FN5/c1-22-19-31-35-29(26-9-8-10-26)21-32(37(31)5)36(4)18-16-34-23(2)12-13-25-14-15-27(33)20-28(25)24(3)38-17-7-6-11-30(22)38/h14-15,19-21,26,30,34H,1-3,6-13,16-18H2,4-5H3/b31-19-.

What are the key properties of (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene?

(1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene has a molecular weight of 515.72 g/mol, XLogP of 6.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene is sourced from PubChem (CID 154970045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).