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

C27H27N7O6 — CID 146575392

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

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide (PubChem CID 146575392) has the molecular formula C27H27N7O6 and a molecular weight of 545.56 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide
• PubChem CID: 146575392
• Molecular Formula: C27H27N7O6
• Molecular Weight: 545.56 g/mol
• Exact Mass: 545.20
• IUPAC Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide
• SMILES: CCOc1cn(C2CN=CN=C2OC)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
• InChI: InChI=1S/C27H27N7O6/c1-5-39-23-14-34(19-13-28-15-31-27(19)38-4)33-25(23)26(35)32-24-7-6-16(12-30-24)40-20-8-9-29-18-11-22(37-3)21(36-2)10-17(18)20/h6-12,14-15,19H,5,13H2,1-4H3,(H,30,32,35)
• InChIKey: XWVZWIWOWPOWTG-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 143.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.56
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide (CID 146575392) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide.

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

The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide is CCOc1cn(C2CN=CN=C2OC)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-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide?

The InChIKey is XWVZWIWOWPOWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O6/c1-5-39-23-14-34(19-13-28-15-31-27(19)38-4)33-25(23)26(35)32-24-7-6-16(12-30-24)40-20-8-9-29-18-11-22(37-3)21(36-2)10-17(18)20/h6-12,14-15,19H,5,13H2,1-4H3,(H,30,32,35).

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

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide has a molecular weight of 545.56 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 12 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-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 146575392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).