6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H24IN5O3 — CID 134286401

About 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 134286401) has the molecular formula C24H24IN5O3 and a molecular weight of 557.39 g/mol. Its IUPAC name is 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 134286401
• Molecular Formula: C24H24IN5O3
• Molecular Weight: 557.39 g/mol
• Exact Mass: 557.09
• IUPAC Name: 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnn2cc(OCCI)ccc12
• InChI: InChI=1S/C24H24IN5O3/c25-11-12-33-17-9-10-21-20(13-26-30(21)14-17)23(31)27-16-7-5-15(6-8-16)22-18-3-1-2-4-19(18)24(32)29-28-22/h1-4,9-10,13-16H,5-8,11-12H2,(H,27,31)(H,29,32)
• InChIKey: YKKALFTZZRORSF-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.39
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 134286401) is 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnn2cc(OCCI)ccc12.

What is the InChIKey of 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is YKKALFTZZRORSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24IN5O3/c25-11-12-33-17-9-10-21-20(13-26-30(21)14-17)23(31)27-16-7-5-15(6-8-16)22-18-3-1-2-4-19(18)24(32)29-28-22/h1-4,9-10,13-16H,5-8,11-12H2,(H,27,31)(H,29,32).

What are the key properties of 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 557.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-iodoethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134286401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).