1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide

C₃₆H₃₉FN₆O₃ — CID 155735315

About 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide

1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide (PubChem CID 155735315) has the molecular formula C₃₆H₃₉FN₆O₃ and a molecular weight of 622.75 g/mol. Its IUPAC name is 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide.

Molecular Properties

• Compound Name: 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide
• PubChem CID: 155735315
• Molecular Formula: C₃₆H₃₉FN₆O₃
• Molecular Weight: 622.75 g/mol
• Exact Mass: 622.31
• IUPAC Name: 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide
• SMILES: CC1(C)CC1.O=CNc1ccc(F)cc1.O=CNc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1
• InChI: InChI=1S/C24H23N5O2.C7H6FNO.C5H10/c30-16-27-19-2-4-21(5-3-19)31-24-9-12-26-23-13-17(1-6-22(23)24)18-14-28-29(15-18)20-7-10-25-11-8-20;8-6-1-3-7(4-2-6)9-5-10;1-5(2)3-4-5/h1-6,9,12-16,20,25H,7-8,10-11H2,(H,27,30);1-5H,(H,9,10);3-4H2,1-2H3
• InChIKey: VBAIEGVYDQZORP-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 110.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.75
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide?

The IUPAC name of 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide (CID 155735315) is 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide.

What is the SMILES notation for 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide?

The canonical SMILES for 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide is CC1(C)CC1.O=CNc1ccc(F)cc1.O=CNc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1.

What is the InChIKey of 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide?

The InChIKey is VBAIEGVYDQZORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2.C7H6FNO.C5H10/c30-16-27-19-2-4-21(5-3-19)31-24-9-12-26-23-13-17(1-6-22(23)24)18-14-28-29(15-18)20-7-10-25-11-8-20;8-6-1-3-7(4-2-6)9-5-10;1-5(2)3-4-5/h1-6,9,12-16,20,25H,7-8,10-11H2,(H,27,30);1-5H,(H,9,10);3-4H2,1-2H3.

What are the key properties of 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide?

1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide has a molecular weight of 622.75 g/mol, XLogP of 7.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethylcyclopropane;N-(4-fluorophenyl)formamide;N-[4-[7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]formamide is sourced from PubChem (CID 155735315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155735315 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.