4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

C25H22FN3O2S — CID 19486594

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 19486594) has the molecular formula C25H22FN3O2S and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
• PubChem CID: 19486594
• Molecular Formula: C25H22FN3O2S
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.14
• IUPAC Name: 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(COc2ccc3c(c2)CCC3)cs1
• InChI: InChI=1S/C25H22FN3O2S/c26-23-7-2-1-4-20(23)13-29-14-21(12-27-29)28-25(30)24-10-17(16-32-24)15-31-22-9-8-18-5-3-6-19(18)11-22/h1-2,4,7-12,14,16H,3,5-6,13,15H2,(H,28,30)
• InChIKey: ADTIKJZLBQIXAY-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (CID 19486594) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(COc2ccc3c(c2)CCC3)cs1.

What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

The InChIKey is ADTIKJZLBQIXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2S/c26-23-7-2-1-4-20(23)13-29-14-21(12-27-29)28-25(30)24-10-17(16-32-24)15-31-22-9-8-18-5-3-6-19(18)11-22/h1-2,4,7-12,14,16H,3,5-6,13,15H2,(H,28,30).

What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19486594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).