7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide

C24H32N6O3S — CID 155921543

About 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide

7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide (PubChem CID 155921543) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide.

Molecular Properties

• Compound Name: 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide
• PubChem CID: 155921543
• Molecular Formula: C24H32N6O3S
• Molecular Weight: 484.63 g/mol
• Exact Mass: 484.23
• IUPAC Name: 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide
• SMILES: Cc1cc(OC2CCCC2)ncc1N1C(=O)NC2=C(C(=O)N[C@@H]3CCNC3)SC3NCCC1C23
• InChI: InChI=1S/C24H32N6O3S/c1-13-10-18(33-15-4-2-3-5-15)27-12-17(13)30-16-7-9-26-23-19(16)20(29-24(30)32)21(34-23)22(31)28-14-6-8-25-11-14/h10,12,14-16,19,23,25-26H,2-9,11H2,1H3,(H,28,31)(H,29,32)/t14-,16?,19?,23?/m1/s1
• InChIKey: UDEWZGUEZZSRCE-FHUYBOOOSA-N
• XLogP: 1.98
• TPSA: 107.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.63
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide?

The IUPAC name of 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide (CID 155921543) is 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide.

What is the SMILES notation for 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide?

The canonical SMILES for 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide is Cc1cc(OC2CCCC2)ncc1N1C(=O)NC2=C(C(=O)N[C@@H]3CCNC3)SC3NCCC1C23.

What is the InChIKey of 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide?

The InChIKey is UDEWZGUEZZSRCE-FHUYBOOOSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-13-10-18(33-15-4-2-3-5-15)27-12-17(13)30-16-7-9-26-23-19(16)20(29-24(30)32)21(34-23)22(31)28-14-6-8-25-11-14/h10,12,14-16,19,23,25-26H,2-9,11H2,1H3,(H,28,31)(H,29,32)/t14-,16?,19?,23?/m1/s1.

What are the key properties of 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide?

7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide has a molecular weight of 484.63 g/mol, XLogP of 1.98, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-cyclopentyloxy-4-methyl-3-pyridinyl)-6-oxo-N-[(3R)-pyrrolidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide is sourced from PubChem (CID 155921543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).