N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide

C25H24N4O2S — CID 2951569

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3cccs3)c2)c2ccccc12
InChIInChI=1S/C25H24N4O2S/c1-31-25-19-9-4-3-8-18(19)23(27-28-25)17-11-12-21(29-13-5-2-6-14-29)20(16-17)26-24(30)22-10-7-15-32-22/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,26,30)
InChIKeyUDZIFDJYWVWDJN-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.61
Rot. Bonds5

About N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide

N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide (PubChem CID 2951569) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide
PubChem CID2951569
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3cccs3)c2)c2ccccc12
InChIInChI=1S/C25H24N4O2S/c1-31-25-19-9-4-3-8-18(19)23(27-28-25)17-11-12-21(29-13-5-2-6-14-29)20(16-17)26-24(30)22-10-7-15-32-22/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,26,30)
InChIKeyUDZIFDJYWVWDJN-UHFFFAOYSA-N
XLogP5.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide (CID 2951569) is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide is COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3cccs3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide?
The InChIKey is UDZIFDJYWVWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-31-25-19-9-4-3-8-18(19)23(27-28-25)17-11-12-21(29-13-5-2-6-14-29)20(16-17)26-24(30)22-10-7-15-32-22/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,26,30).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2951569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).