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

C23H23N5O4S — CID 134286679

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

7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134286679) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is 7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 134286679
• Molecular Formula: C23H23N5O4S
• Molecular Weight: 465.54 g/mol
• Exact Mass: 465.15
• IUPAC Name: 7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CS(=O)(=O)c1ccn2c(C(=O)NC3CCC(c4n[nH]c(=O)c5ccccc45)CC3)cnc2c1
• InChI: InChI=1S/C23H23N5O4S/c1-33(31,32)16-10-11-28-19(13-24-20(28)12-16)23(30)25-15-8-6-14(7-9-15)21-17-4-2-3-5-18(17)22(29)27-26-21/h2-5,10-15H,6-9H2,1H3,(H,25,30)(H,27,29)
• InChIKey: FNLHPNMHWSBZDX-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 126.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.54
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134286679) is 7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide is CS(=O)(=O)c1ccn2c(C(=O)NC3CCC(c4n[nH]c(=O)c5ccccc45)CC3)cnc2c1.

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

The InChIKey is FNLHPNMHWSBZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-33(31,32)16-10-11-28-19(13-24-20(28)12-16)23(30)25-15-8-6-14(7-9-15)21-17-4-2-3-5-18(17)22(29)27-26-21/h2-5,10-15H,6-9H2,1H3,(H,25,30)(H,27,29).

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

7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134286679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).