4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C24H21N9O3 — CID 174211630

About 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 174211630) has the molecular formula C24H21N9O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
• PubChem CID: 174211630
• Molecular Formula: C24H21N9O3
• Molecular Weight: 483.49 g/mol
• Exact Mass: 483.18
• IUPAC Name: 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
• SMILES: Cc1cc(Nc2ncnn3cnc(C4=CCN(C(=O)O)CC4)c23)ccc1Oc1ccn2ncnc2c1
• InChI: InChI=1S/C24H21N9O3/c1-15-10-17(2-3-19(15)36-18-6-9-32-20(11-18)25-12-28-32)30-23-22-21(27-14-33(22)29-13-26-23)16-4-7-31(8-5-16)24(34)35/h2-4,6,9-14H,5,7-8H2,1H3,(H,34,35)(H,26,29,30)
• InChIKey: AOHXGQDXMMFOPL-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 135.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.49
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?

The IUPAC name of 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 174211630) is 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

What is the SMILES notation for 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?

The canonical SMILES for 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cc1cc(Nc2ncnn3cnc(C4=CCN(C(=O)O)CC4)c23)ccc1Oc1ccn2ncnc2c1.

What is the InChIKey of 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?

The InChIKey is AOHXGQDXMMFOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9O3/c1-15-10-17(2-3-19(15)36-18-6-9-32-20(11-18)25-12-28-32)30-23-22-21(27-14-33(22)29-13-26-23)16-4-7-31(8-5-16)24(34)35/h2-4,6,9-14H,5,7-8H2,1H3,(H,34,35)(H,26,29,30).

What are the key properties of 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?

4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 483.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]imidazo[5,1-f][1,2,4]triazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 174211630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).