4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide

C29H28N6O5 — CID 134392191

About 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide

4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 134392191) has the molecular formula C29H28N6O5 and a molecular weight of 540.58 g/mol. Its IUPAC name is 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide
• PubChem CID: 134392191
• Molecular Formula: C29H28N6O5
• Molecular Weight: 540.58 g/mol
• Exact Mass: 540.21
• IUPAC Name: 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide
• SMILES: CCOc1cn(-c2cccnc2)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC(C)C)c(OC)cc23)cn1
• InChI: InChI=1S/C29H28N6O5/c1-5-38-26-17-35(19-7-6-11-30-15-19)34-28(26)29(36)33-27-9-8-20(16-32-27)40-23-10-12-31-22-14-25(39-18(2)3)24(37-4)13-21(22)23/h6-18H,5H2,1-4H3,(H,32,33,36)
• InChIKey: CGEADCYUMZBCCJ-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 122.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.58
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide?

The IUPAC name of 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide (CID 134392191) is 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide.

What is the SMILES notation for 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide?

The canonical SMILES for 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide is CCOc1cn(-c2cccnc2)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC(C)C)c(OC)cc23)cn1.

What is the InChIKey of 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide?

The InChIKey is CGEADCYUMZBCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O5/c1-5-38-26-17-35(19-7-6-11-30-15-19)34-28(26)29(36)33-27-9-8-20(16-32-27)40-23-10-12-31-22-14-25(39-18(2)3)24(37-4)13-21(22)23/h6-18H,5H2,1-4H3,(H,32,33,36).

What are the key properties of 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide?

4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 540.58 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 134392191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).