N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide

C₆₅H₅₈F₂N₁₂O₈ — CID 123988827

About N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide

N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide (PubChem CID 123988827) has the molecular formula C₆₅H₅₈F₂N₁₂O₈ and a molecular weight of 1173.25 g/mol. Its IUPAC name is N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide
• PubChem CID: 123988827
• Molecular Formula: C₆₅H₅₈F₂N₁₂O₈
• Molecular Weight: 1173.25 g/mol
• Exact Mass: 1172.45
• IUPAC Name: N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide
• SMILES: CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)C(c4ccc(F)cc4)C(C(=O)Nc4ccc(-c5ccc6nc(Nc7ccc(C(=O)N8CCOCC8)cc7OC)nn6c5)cc4)c4ccc(F)cc4)cc3)cn2n1
• InChI: InChI=1S/C65H58F2N12O8/c1-3-87-55-37-45(63(83)77-30-34-86-35-31-77)13-25-53(55)71-65-73-57-27-15-47(39-79(57)75-65)41-10-22-51(23-11-41)69-61(81)59(43-6-18-49(67)19-7-43)58(42-4-16-48(66)17-5-42)60(80)68-50-20-8-40(9-21-50)46-14-26-56-72-64(74-78(56)38-46)70-52-24-12-44(36-54(52)84-2)62(82)76-28-32-85-33-29-76/h4-27,36-39,58-59H,3,28-35H2,1-2H3,(H,68,80)(H,69,81)(H,70,74)(H,71,75)
• InChIKey: SBXZHQWIOBOPLE-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 220.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1173.25
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide?

The IUPAC name of N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide (CID 123988827) is N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide.

What is the SMILES notation for N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide?

The canonical SMILES for N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide is CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)C(c4ccc(F)cc4)C(C(=O)Nc4ccc(-c5ccc6nc(Nc7ccc(C(=O)N8CCOCC8)cc7OC)nn6c5)cc4)c4ccc(F)cc4)cc3)cn2n1.

What is the InChIKey of N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide?

The InChIKey is SBXZHQWIOBOPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H58F2N12O8/c1-3-87-55-37-45(63(83)77-30-34-86-35-31-77)13-25-53(55)71-65-73-57-27-15-47(39-79(57)75-65)41-10-22-51(23-11-41)69-61(81)59(43-6-18-49(67)19-7-43)58(42-4-16-48(66)17-5-42)60(80)68-50-20-8-40(9-21-50)46-14-26-56-72-64(74-78(56)38-46)70-52-24-12-44(36-54(52)84-2)62(82)76-28-32-85-33-29-76/h4-27,36-39,58-59H,3,28-35H2,1-2H3,(H,68,80)(H,69,81)(H,70,74)(H,71,75).

What are the key properties of N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide?

N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide has a molecular weight of 1173.25 g/mol, XLogP of 10.37, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2,3-bis(4-fluorophenyl)-N'-[4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanediamide is sourced from PubChem (CID 123988827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123988827 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.