4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine

C34H42ClF2N7O — CID 144801813

About 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine

4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine (PubChem CID 144801813) has the molecular formula C34H42ClF2N7O and a molecular weight of 638.21 g/mol. Its IUPAC name is 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

• Compound Name: 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine
• PubChem CID: 144801813
• Molecular Formula: C34H42ClF2N7O
• Molecular Weight: 638.21 g/mol
• Exact Mass: 637.31
• IUPAC Name: 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine
• SMILES: CN1CCC(N(C)C)CC1.O=Cc1ccc(Nc2nc3c(N4CCC(CC(F)F)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1
• InChI: InChI=1S/C26H24ClF2N5O.C8H18N2/c27-20-7-5-19(6-8-20)26(16-23(28)29)11-14-33(15-12-26)22-2-1-13-34-24(22)31-25(32-34)30-21-9-3-18(17-35)4-10-21;1-9(2)8-4-6-10(3)7-5-8/h1-10,13,17,23H,11-12,14-16H2,(H,30,32);8H,4-7H2,1-3H3
• InChIKey: UKOZWWMNQSYOQP-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 69.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.21
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine?

The IUPAC name of 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine (CID 144801813) is 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine.

What is the SMILES notation for 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine?

The canonical SMILES for 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine is CN1CCC(N(C)C)CC1.O=Cc1ccc(Nc2nc3c(N4CCC(CC(F)F)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1.

What is the InChIKey of 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine?

The InChIKey is UKOZWWMNQSYOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N5O.C8H18N2/c27-20-7-5-19(6-8-20)26(16-23(28)29)11-14-33(15-12-26)22-2-1-13-34-24(22)31-25(32-34)30-21-9-3-18(17-35)4-10-21;1-9(2)8-4-6-10(3)7-5-8/h1-10,13,17,23H,11-12,14-16H2,(H,30,32);8H,4-7H2,1-3H3.

What are the key properties of 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine?

4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine has a molecular weight of 638.21 g/mol, XLogP of 6.77, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 144801813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).