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

C36H30FN5O6 — CID 134392253

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

4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide (PubChem CID 134392253) has the molecular formula C36H30FN5O6 and a molecular weight of 647.66 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide
• PubChem CID: 134392253
• Molecular Formula: C36H30FN5O6
• Molecular Weight: 647.66 g/mol
• Exact Mass: 647.22
• IUPAC Name: 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5Oc5ccccc5)cc4OCC4CC4)nc3)c2cc1OC
• InChI: InChI=1S/C36H30FN5O6/c1-44-31-17-26-27(18-32(31)45-2)38-15-14-29(26)48-25-11-13-34(39-19-25)40-36(43)35-33(46-21-22-8-9-22)20-42(41-35)28-12-10-23(37)16-30(28)47-24-6-4-3-5-7-24/h3-7,10-20,22H,8-9,21H2,1-2H3,(H,39,40,43)
• InChIKey: MZPHWYDUABHJAP-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 118.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.66
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide (CID 134392253) is 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide.

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

The canonical SMILES for 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5Oc5ccccc5)cc4OCC4CC4)nc3)c2cc1OC.

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

The InChIKey is MZPHWYDUABHJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30FN5O6/c1-44-31-17-26-27(18-32(31)45-2)38-15-14-29(26)48-25-11-13-34(39-19-25)40-36(43)35-33(46-21-22-8-9-22)20-42(41-35)28-12-10-23(37)16-30(28)47-24-6-4-3-5-7-24/h3-7,10-20,22H,8-9,21H2,1-2H3,(H,39,40,43).

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

4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 647.66 g/mol, XLogP of 7.60, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 134392253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).