2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide

C24H23N7O4S — CID 164547104

IUPAC2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide
SMILESCOc1ncccc1-c1cn2nc3c4ncc(NC(=O)CN5CC(C)(OC)C5)cc4[nH]c(=O)c3c2s1
InChIInChI=1S/C24H23N7O4S/c1-24(35-3)11-30(12-24)10-17(32)27-13-7-15-19(26-8-13)20-18(21(33)28-15)23-31(29-20)9-16(36-23)14-5-4-6-25-22(14)34-2/h4-9H,10-12H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyCEGGILXPZAAPAU-UHFFFAOYSA-N
MW505.56 g/mol
LogP2.52
Rot. Bonds6

About 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide

2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide (PubChem CID 164547104) has the molecular formula C24H23N7O4S and a molecular weight of 505.56 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide
PubChem CID164547104
Molecular FormulaC24H23N7O4S
Molecular Weight505.56 g/mol
Exact Mass505.15
IUPAC Name2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide
SMILESCOc1ncccc1-c1cn2nc3c4ncc(NC(=O)CN5CC(C)(OC)C5)cc4[nH]c(=O)c3c2s1
InChIInChI=1S/C24H23N7O4S/c1-24(35-3)11-30(12-24)10-17(32)27-13-7-15-19(26-8-13)20-18(21(33)28-15)23-31(29-20)9-16(36-23)14-5-4-6-25-22(14)34-2/h4-9H,10-12H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyCEGGILXPZAAPAU-UHFFFAOYSA-N
XLogP2.52
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.56
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide?
The IUPAC name of 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide (CID 164547104) is 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide.
What is the SMILES notation for 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide?
The canonical SMILES for 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide is COc1ncccc1-c1cn2nc3c4ncc(NC(=O)CN5CC(C)(OC)C5)cc4[nH]c(=O)c3c2s1.
What is the InChIKey of 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide?
The InChIKey is CEGGILXPZAAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4S/c1-24(35-3)11-30(12-24)10-17(32)27-13-7-15-19(26-8-13)20-18(21(33)28-15)23-31(29-20)9-16(36-23)14-5-4-6-25-22(14)34-2/h4-9H,10-12H2,1-3H3,(H,27,32)(H,28,33).
What are the key properties of 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide?
2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide has a molecular weight of 505.56 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide is sourced from PubChem (CID 164547104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).