4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide

C22H25N5O3 — CID 29130881

About 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide

4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide (PubChem CID 29130881) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide
• PubChem CID: 29130881
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide
• SMILES: COc1ccc(OC)c2c1cc(C(=O)N[C@H](c1nnc3ccccn13)C(C)C)n2C
• InChI: InChI=1S/C22H25N5O3/c1-13(2)19(21-25-24-18-8-6-7-11-27(18)21)23-22(28)15-12-14-16(29-4)9-10-17(30-5)20(14)26(15)3/h6-13,19H,1-5H3,(H,23,28)/t19-/m0/s1
• InChIKey: ZLPDTZWPZLCQAE-IBGZPJMESA-N
• XLogP: 3.37
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide?

The IUPAC name of 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide (CID 29130881) is 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide.

What is the SMILES notation for 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide?

The canonical SMILES for 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide is COc1ccc(OC)c2c1cc(C(=O)N[C@H](c1nnc3ccccn13)C(C)C)n2C.

What is the InChIKey of 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide?

The InChIKey is ZLPDTZWPZLCQAE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13(2)19(21-25-24-18-8-6-7-11-27(18)21)23-22(28)15-12-14-16(29-4)9-10-17(30-5)20(14)26(15)3/h6-13,19H,1-5H3,(H,23,28)/t19-/m0/s1.

What are the key properties of 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide?

4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide is sourced from PubChem (CID 29130881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).