Skip to content

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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-(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
SMILESCc1cc(OC2CCCC2)ncc1N1C(=O)NC2=C(C(=O)N[C@@H]3CCNC3)SC3NCCC1C23
InChIInChI=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
InChIKeyUDEWZGUEZZSRCE-FHUYBOOOSA-N
MW484.63 g/mol
LogP1.98
Rot. Bonds5

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 Name7-(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 CID155921543
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name7-(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
SMILESCc1cc(OC2CCCC2)ncc1N1C(=O)NC2=C(C(=O)N[C@@H]3CCNC3)SC3NCCC1C23
InChIInChI=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
InChIKeyUDEWZGUEZZSRCE-FHUYBOOOSA-N
XLogP1.98
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.