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

C23H21F2N5O3 — CID 134286661

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

7-(difluoromethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134286661) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(difluoromethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 134286661
• Molecular Formula: C23H21F2N5O3
• Molecular Weight: 453.45 g/mol
• Exact Mass: 453.16
• IUPAC Name: 7-(difluoromethoxy)-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)c1cnc2cc(OC(F)F)ccn12
• InChI: InChI=1S/C23H21F2N5O3/c24-23(25)33-15-9-10-30-18(12-26-19(30)11-15)22(32)27-14-7-5-13(6-8-14)20-16-3-1-2-4-17(16)21(31)29-28-20/h1-4,9-14,23H,5-8H2,(H,27,32)(H,29,31)
• InChIKey: QSWQKTUCUSCVQK-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.45
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(difluoromethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134286661) is 7-(difluoromethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 7-(difluoromethoxy)-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)c1cnc2cc(OC(F)F)ccn12.

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

The InChIKey is QSWQKTUCUSCVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c24-23(25)33-15-9-10-30-18(12-26-19(30)11-15)22(32)27-14-7-5-13(6-8-14)20-16-3-1-2-4-17(16)21(31)29-28-20/h1-4,9-14,23H,5-8H2,(H,27,32)(H,29,31).

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

7-(difluoromethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134286661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).