N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28N6O3 — CID 129298599

About N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129298599) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129298599
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cnc2c(C(=O)Nc3cc4c(cc3N3CCNCC3)OC(C(C)CO)C4)cnn2c1
• InChI: InChI=1S/C23H28N6O3/c1-14-10-25-22-17(11-26-29(22)12-14)23(31)27-18-7-16-8-20(15(2)13-30)32-21(16)9-19(18)28-5-3-24-4-6-28/h7,9-12,15,20,24,30H,3-6,8,13H2,1-2H3,(H,27,31)
• InChIKey: PVSOOGDHUROJMT-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 104.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129298599) is N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)Nc3cc4c(cc3N3CCNCC3)OC(C(C)CO)C4)cnn2c1.

What is the InChIKey of N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PVSOOGDHUROJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-14-10-25-22-17(11-26-29(22)12-14)23(31)27-18-7-16-8-20(15(2)13-30)32-21(16)9-19(18)28-5-3-24-4-6-28/h7,9-12,15,20,24,30H,3-6,8,13H2,1-2H3,(H,27,31).

What are the key properties of N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-hydroxypropan-2-yl)-6-piperazin-1-yl-2,3-dihydro-1-benzofuran-5-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129298599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).