2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide

C30H31FN8O — CID 59612427

About 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 59612427) has the molecular formula C30H31FN8O and a molecular weight of 538.63 g/mol. Its IUPAC name is 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide
• PubChem CID: 59612427
• Molecular Formula: C30H31FN8O
• Molecular Weight: 538.63 g/mol
• Exact Mass: 538.26
• IUPAC Name: 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)CN1CCC(c2ccc(Nc3nc4c(-c5cnn(-c6ccc(F)cc6)c5)cccn4n3)cc2)CC1
• InChI: InChI=1S/C30H31FN8O/c1-36(2)28(40)20-37-16-13-22(14-17-37)21-5-9-25(10-6-21)33-30-34-29-27(4-3-15-38(29)35-30)23-18-32-39(19-23)26-11-7-24(31)8-12-26/h3-12,15,18-19,22H,13-14,16-17,20H2,1-2H3,(H,33,35)
• InChIKey: WRKUJCHNZTZQDY-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 83.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.63
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide (CID 59612427) is 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(c2ccc(Nc3nc4c(-c5cnn(-c6ccc(F)cc6)c5)cccn4n3)cc2)CC1.

What is the InChIKey of 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide?

The InChIKey is WRKUJCHNZTZQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8O/c1-36(2)28(40)20-37-16-13-22(14-17-37)21-5-9-25(10-6-21)33-30-34-29-27(4-3-15-38(29)35-30)23-18-32-39(19-23)26-11-7-24(31)8-12-26/h3-12,15,18-19,22H,13-14,16-17,20H2,1-2H3,(H,33,35).

What are the key properties of 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide?

2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 538.63 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[8-[1-(4-fluorophenyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 59612427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).