N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide

C101H101F4N23O5 — CID 158405230

About N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide

N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 158405230) has the molecular formula C101H101F4N23O5 and a molecular weight of 1793.07 g/mol. Its IUPAC name is N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
• PubChem CID: 158405230
• Molecular Formula: C101H101F4N23O5
• Molecular Weight: 1793.07 g/mol
• Exact Mass: 1791.83
• IUPAC Name: N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
• SMILES: CN1CCC(NC(=O)c2ccc(Nc3nc4c(-c5cccc(F)c5)cccn4n3)cc2)CC1.O=C(NC1CCCCC1)c1ccc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cc1.O=C(NCC1CCNCC1)c1ccc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cc1.O=C(NCCCN1CCOCC1)c1ccc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cc1
• InChI: InChI=1S/C26H27FN6O2.2C25H25FN6O.C25H24FN5O/c27-21-5-1-4-20(18-21)23-6-2-13-33-24(23)30-26(31-33)29-22-9-7-19(8-10-22)25(34)28-11-3-12-32-14-16-35-17-15-32;1-31-14-11-21(12-15-31)27-24(33)17-7-9-20(10-8-17)28-25-29-23-22(6-3-13-32(23)30-25)18-4-2-5-19(26)16-18;26-20-4-1-3-19(15-20)22-5-2-14-32-23(22)30-25(31-32)29-21-8-6-18(7-9-21)24(33)28-16-17-10-12-27-13-11-17;26-19-7-4-6-18(16-19)22-10-5-15-31-23(22)29-25(30-31)28-21-13-11-17(12-14-21)24(32)27-20-8-2-1-3-9-20/h1-2,4-10,13,18H,3,11-12,14-17H2,(H,28,34)(H,29,31);2-10,13,16,21H,11-12,14-15H2,1H3,(H,27,33)(H,28,30);1-9,14-15,17,27H,10-13,16H2,(H,28,33)(H,29,31);4-7,10-16,20H,1-3,8-9H2,(H,27,32)(H,28,30)
• InChIKey: GYPJRRLSXORGCH-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 313.02 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.07
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

The IUPAC name of N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (CID 158405230) is N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide.

What is the SMILES notation for N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

The canonical SMILES for N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide is CN1CCC(NC(=O)c2ccc(Nc3nc4c(-c5cccc(F)c5)cccn4n3)cc2)CC1.O=C(NC1CCCCC1)c1ccc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cc1.O=C(NCC1CCNCC1)c1ccc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cc1.O=C(NCCCN1CCOCC1)c1ccc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cc1.

What is the InChIKey of N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

The InChIKey is GYPJRRLSXORGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2.2C25H25FN6O.C25H24FN5O/c27-21-5-1-4-20(18-21)23-6-2-13-33-24(23)30-26(31-33)29-22-9-7-19(8-10-22)25(34)28-11-3-12-32-14-16-35-17-15-32;1-31-14-11-21(12-15-31)27-24(33)17-7-9-20(10-8-17)28-25-29-23-22(6-3-13-32(23)30-25)18-4-2-5-19(26)16-18;26-20-4-1-3-19(15-20)22-5-2-14-32-23(22)30-25(31-32)29-21-8-6-18(7-9-21)24(33)28-16-17-10-12-27-13-11-17;26-19-7-4-6-18(16-19)22-10-5-15-31-23(22)29-25(30-31)28-21-13-11-17(12-14-21)24(32)27-20-8-2-1-3-9-20/h1-2,4-10,13,18H,3,11-12,14-17H2,(H,28,34)(H,29,31);2-10,13,16,21H,11-12,14-15H2,1H3,(H,27,33)(H,28,30);1-9,14-15,17,27H,10-13,16H2,(H,28,33)(H,29,31);4-7,10-16,20H,1-3,8-9H2,(H,27,32)(H,28,30).

What are the key properties of N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 1793.07 g/mol, XLogP of 17.18, 24 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 158405230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).