7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C26H34F2N6O3Si — CID 174087748

About 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 174087748) has the molecular formula C26H34F2N6O3Si and a molecular weight of 544.68 g/mol. Its IUPAC name is 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

• Compound Name: 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
• PubChem CID: 174087748
• Molecular Formula: C26H34F2N6O3Si
• Molecular Weight: 544.68 g/mol
• Exact Mass: 544.24
• IUPAC Name: 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
• SMILES: C[Si](C)(C)CCOCn1nc2cc(N(c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)C3CC3)ccn2c1=O
• InChI: InChI=1S/C26H34F2N6O3Si/c1-38(2,3)15-14-37-18-33-25(36)32-11-8-21(16-23(32)30-33)34(20-5-6-20)22-7-4-19(17-29-22)24(35)31-12-9-26(27,28)10-13-31/h4,7-8,11,16-17,20H,5-6,9-10,12-15,18H2,1-3H3
• InChIKey: HGDBAUXNIZVARG-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 84.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.68
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The IUPAC name of 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 174087748) is 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

What is the SMILES notation for 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The canonical SMILES for 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is C[Si](C)(C)CCOCn1nc2cc(N(c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)C3CC3)ccn2c1=O.

What is the InChIKey of 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The InChIKey is HGDBAUXNIZVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N6O3Si/c1-38(2,3)15-14-37-18-33-25(36)32-11-8-21(16-23(32)30-33)34(20-5-6-20)22-7-4-19(17-29-22)24(35)31-12-9-26(27,28)10-13-31/h4,7-8,11,16-17,20H,5-6,9-10,12-15,18H2,1-3H3.

What are the key properties of 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?

7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 544.68 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]-2-(2-trimethylsilylethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 174087748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).