N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H28N8O2 — CID 129297814

IUPACN-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(Cc4cnc[nH]4)CC3)cc2O1
InChIInChI=1S/C25H28N8O2/c1-25(2)12-17-10-20(30-24(34)19-14-29-33-5-3-4-27-23(19)33)21(11-22(17)35-25)32-8-6-31(7-9-32)15-18-13-26-16-28-18/h3-5,10-11,13-14,16H,6-9,12,15H2,1-2H3,(H,26,28)(H,30,34)
InChIKeyIQUVSFJLVSGECK-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.74
Rot. Bonds5

About N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297814) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297814
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC NameN-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(Cc4cnc[nH]4)CC3)cc2O1
InChIInChI=1S/C25H28N8O2/c1-25(2)12-17-10-20(30-24(34)19-14-29-33-5-3-4-27-23(19)33)21(11-22(17)35-25)32-8-6-31(7-9-32)15-18-13-26-16-28-18/h3-5,10-11,13-14,16H,6-9,12,15H2,1-2H3,(H,26,28)(H,30,34)
InChIKeyIQUVSFJLVSGECK-UHFFFAOYSA-N
XLogP2.74
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297814) is N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(Cc4cnc[nH]4)CC3)cc2O1.
What is the InChIKey of N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IQUVSFJLVSGECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-25(2)12-17-10-20(30-24(34)19-14-29-33-5-3-4-27-23(19)33)21(11-22(17)35-25)32-8-6-31(7-9-32)15-18-13-26-16-28-18/h3-5,10-11,13-14,16H,6-9,12,15H2,1-2H3,(H,26,28)(H,30,34).
What are the key properties of N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).