N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C23H20F3N5O2 — CID 134286565

About N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134286565) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 134286565
• Molecular Formula: C23H20F3N5O2
• Molecular Weight: 455.44 g/mol
• Exact Mass: 455.16
• IUPAC Name: N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnc2cc(C(F)(F)F)ccn12
• InChI: InChI=1S/C23H20F3N5O2/c24-23(25,26)14-9-10-31-18(12-27-19(31)11-14)22(33)28-15-7-5-13(6-8-15)20-16-3-1-2-4-17(16)21(32)30-29-20/h1-4,9-13,15H,5-8H2,(H,28,33)(H,30,32)
• InChIKey: RVSJNJOUXFGOMK-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.44
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 134286565) is N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is O=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnc2cc(C(F)(F)F)ccn12.

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

The InChIKey is RVSJNJOUXFGOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)14-9-10-31-18(12-27-19(31)11-14)22(33)28-15-7-5-13(6-8-15)20-16-3-1-2-4-17(16)21(32)30-29-20/h1-4,9-13,15H,5-8H2,(H,28,33)(H,30,32).

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

N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134286565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).