5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide

C22H25N5O2S — CID 29129754

About 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide

5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide (PubChem CID 29129754) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide
• PubChem CID: 29129754
• Molecular Formula: C22H25N5O2S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.17
• IUPAC Name: 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide
• SMILES: COc1ccc2c(c1)c(C(=O)N[C@H](CCSC)c1nnc3ccccn13)c(C)n2C
• InChI: InChI=1S/C22H25N5O2S/c1-14-20(16-13-15(29-3)8-9-18(16)26(14)2)22(28)23-17(10-12-30-4)21-25-24-19-7-5-6-11-27(19)21/h5-9,11,13,17H,10,12H2,1-4H3,(H,23,28)/t17-/m1/s1
• InChIKey: BHPQGLGIMSGJDN-QGZVFWFLSA-N
• XLogP: 3.76
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide?

The IUPAC name of 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide (CID 29129754) is 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide.

What is the SMILES notation for 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide?

The canonical SMILES for 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)N[C@H](CCSC)c1nnc3ccccn13)c(C)n2C.

What is the InChIKey of 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide?

The InChIKey is BHPQGLGIMSGJDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-14-20(16-13-15(29-3)8-9-18(16)26(14)2)22(28)23-17(10-12-30-4)21-25-24-19-7-5-6-11-27(19)21/h5-9,11,13,17H,10,12H2,1-4H3,(H,23,28)/t17-/m1/s1.

What are the key properties of 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide?

5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-1,2-dimethyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-3-carboxamide is sourced from PubChem (CID 29129754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).