1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one

C31H33N5O4 — CID 148704184

About 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one

1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one (PubChem CID 148704184) has the molecular formula C31H33N5O4 and a molecular weight of 539.64 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one
• PubChem CID: 148704184
• Molecular Formula: C31H33N5O4
• Molecular Weight: 539.64 g/mol
• Exact Mass: 539.25
• IUPAC Name: 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one
• SMILES: CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(CC(=O)CC4CC4)cc3)cn2n1
• InChI: InChI=1S/C31H33N5O4/c1-2-40-28-19-24(30(38)35-13-15-39-16-14-35)9-11-27(28)32-31-33-29-12-10-25(20-36(29)34-31)23-7-5-22(6-8-23)18-26(37)17-21-3-4-21/h5-12,19-21H,2-4,13-18H2,1H3,(H,32,34)
• InChIKey: NVYHKSKDQSBIMX-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.64
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one?

The IUPAC name of 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one (CID 148704184) is 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one.

What is the SMILES notation for 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one?

The canonical SMILES for 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one is CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(CC(=O)CC4CC4)cc3)cn2n1.

What is the InChIKey of 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one?

The InChIKey is NVYHKSKDQSBIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O4/c1-2-40-28-19-24(30(38)35-13-15-39-16-14-35)9-11-27(28)32-31-33-29-12-10-25(20-36(29)34-31)23-7-5-22(6-8-23)18-26(37)17-21-3-4-21/h5-12,19-21H,2-4,13-18H2,1H3,(H,32,34).

What are the key properties of 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one?

1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one has a molecular weight of 539.64 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one is sourced from PubChem (CID 148704184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).