N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide

C29H28N6O6 — CID 122632949

About N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide (PubChem CID 122632949) has the molecular formula C29H28N6O6 and a molecular weight of 556.58 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide
• PubChem CID: 122632949
• Molecular Formula: C29H28N6O6
• Molecular Weight: 556.58 g/mol
• Exact Mass: 556.21
• IUPAC Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide
• SMILES: CCOc1cn(-c2cnccc2CCO)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
• InChI: InChI=1S/C29H28N6O6/c1-4-40-26-17-35(22-16-30-10-7-18(22)9-12-36)34-28(26)29(37)33-27-6-5-19(15-32-27)41-23-8-11-31-21-14-25(39-3)24(38-2)13-20(21)23/h5-8,10-11,13-17,36H,4,9,12H2,1-3H3,(H,32,33,37)
• InChIKey: ZINJNQIYSLSFCF-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 142.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.58
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide?

The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide (CID 122632949) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide?

The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide is CCOc1cn(-c2cnccc2CCO)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1.

What is the InChIKey of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide?

The InChIKey is ZINJNQIYSLSFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O6/c1-4-40-26-17-35(22-16-30-10-7-18(22)9-12-36)34-28(26)29(37)33-27-6-5-19(15-32-27)41-23-8-11-31-21-14-25(39-3)24(38-2)13-20(21)23/h5-8,10-11,13-17,36H,4,9,12H2,1-3H3,(H,32,33,37).

What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide?

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 556.58 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 122632949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).