6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H20FN5O2 — CID 134286586

About 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide

6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134286586) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 134286586
• Molecular Formula: C22H20FN5O2
• Molecular Weight: 405.43 g/mol
• Exact Mass: 405.16
• IUPAC Name: 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnc2ccc(F)cn12
• InChI: InChI=1S/C22H20FN5O2/c23-14-7-10-19-24-11-18(28(19)12-14)22(30)25-15-8-5-13(6-9-15)20-16-3-1-2-4-17(16)21(29)27-26-20/h1-4,7,10-13,15H,5-6,8-9H2,(H,25,30)(H,27,29)
• InChIKey: MURTXCQMWSVPPL-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.43
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134286586) is 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnc2ccc(F)cn12.

What is the InChIKey of 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is MURTXCQMWSVPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-14-7-10-19-24-11-18(28(19)12-14)22(30)25-15-8-5-13(6-9-15)20-16-3-1-2-4-17(16)21(29)27-26-20/h1-4,7,10-13,15H,5-6,8-9H2,(H,25,30)(H,27,29).

What are the key properties of 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?

6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134286586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).