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

C27H24N6O5 — CID 122632980

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

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 122632980) has the molecular formula C27H24N6O5 and a molecular weight of 512.53 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide
• PubChem CID: 122632980
• Molecular Formula: C27H24N6O5
• Molecular Weight: 512.53 g/mol
• Exact Mass: 512.18
• IUPAC Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide
• SMILES: CCOc1nn(-c2cccnc2)cc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
• InChI: InChI=1S/C27H24N6O5/c1-4-37-27-20(16-33(32-27)17-6-5-10-28-14-17)26(34)31-25-8-7-18(15-30-25)38-22-9-11-29-21-13-24(36-3)23(35-2)12-19(21)22/h5-16H,4H2,1-3H3,(H,30,31,34)
• InChIKey: JNCQOOXYRUOZLS-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 122.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.53
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide (CID 122632980) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide.

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

The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide is CCOc1nn(-c2cccnc2)cc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1.

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

The InChIKey is JNCQOOXYRUOZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O5/c1-4-37-27-20(16-33(32-27)17-6-5-10-28-14-17)26(34)31-25-8-7-18(15-30-25)38-22-9-11-29-21-13-24(36-3)23(35-2)12-19(21)22/h5-16H,4H2,1-3H3,(H,30,31,34).

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

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 512.53 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 122632980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).