7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H25F2N5O3 — CID 134286715

About 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide

7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134286715) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 134286715
• Molecular Formula: C25H25F2N5O3
• Molecular Weight: 481.50 g/mol
• Exact Mass: 481.19
• IUPAC Name: 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: C[C@@H](CC1CC(NC(=O)c2cnc3cc(OCC(F)F)ccn23)C1)c1n[nH]c(=O)c2ccccc12
• InChI: InChI=1S/C25H25F2N5O3/c1-14(23-18-4-2-3-5-19(18)24(33)31-30-23)8-15-9-16(10-15)29-25(34)20-12-28-22-11-17(6-7-32(20)22)35-13-21(26)27/h2-7,11-12,14-16,21H,8-10,13H2,1H3,(H,29,34)(H,31,33)/t14-,15?,16?/m0/s1
• InChIKey: IUDORVJWAJLHOZ-FHERZECASA-N
• XLogP: 3.92
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.50
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134286715) is 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide is C[C@@H](CC1CC(NC(=O)c2cnc3cc(OCC(F)F)ccn23)C1)c1n[nH]c(=O)c2ccccc12.

What is the InChIKey of 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is IUDORVJWAJLHOZ-FHERZECASA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-14(23-18-4-2-3-5-19(18)24(33)31-30-23)8-15-9-16(10-15)29-25(34)20-12-28-22-11-17(6-7-32(20)22)35-13-21(26)27/h2-7,11-12,14-16,21H,8-10,13H2,1H3,(H,29,34)(H,31,33)/t14-,15?,16?/m0/s1.

What are the key properties of 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide?

7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 481.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,2-difluoroethoxy)-N-[3-[(2S)-2-(4-oxo-3H-phthalazin-1-yl)propyl]cyclobutyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134286715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).