1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide

C29H27N7O5 — CID 134392159

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

1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide (PubChem CID 134392159) has the molecular formula C29H27N7O5 and a molecular weight of 553.58 g/mol. Its IUPAC name is 1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
• PubChem CID: 134392159
• Molecular Formula: C29H27N7O5
• Molecular Weight: 553.58 g/mol
• Exact Mass: 553.21
• IUPAC Name: 1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
• SMILES: CCOc1cn(-c2cncnc2C2CC2)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
• InChI: InChI=1S/C29H27N7O5/c1-4-40-25-15-36(21-14-30-16-33-27(21)17-5-6-17)35-28(25)29(37)34-26-8-7-18(13-32-26)41-22-9-10-31-20-12-24(39-3)23(38-2)11-19(20)22/h7-17H,4-6H2,1-3H3,(H,32,34,37)
• InChIKey: AEMHQIHESAVJAR-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 135.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.58
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide (CID 134392159) is 1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide.

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

The canonical SMILES for 1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide is CCOc1cn(-c2cncnc2C2CC2)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1.

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

The InChIKey is AEMHQIHESAVJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O5/c1-4-40-25-15-36(21-14-30-16-33-27(21)17-5-6-17)35-28(25)29(37)34-26-8-7-18(13-32-26)41-22-9-10-31-20-12-24(39-3)23(38-2)11-19(20)22/h7-17H,4-6H2,1-3H3,(H,32,34,37).

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

1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide has a molecular weight of 553.58 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide is sourced from PubChem (CID 134392159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).