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

C25H28N8O2 — CID 129297712

IUPACN-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(Cc4ccn[nH]4)CC3)cc2O1
InChIInChI=1S/C25H28N8O2/c1-25(2)14-17-12-20(29-24(34)19-15-28-33-7-3-5-26-23(19)33)21(13-22(17)35-25)32-10-8-31(9-11-32)16-18-4-6-27-30-18/h3-7,12-13,15H,8-11,14,16H2,1-2H3,(H,27,30)(H,29,34)
InChIKeyBFXZSTWCBFWRLT-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.74
Rot. Bonds5

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

N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297712) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297712
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC NameN-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(Cc4ccn[nH]4)CC3)cc2O1
InChIInChI=1S/C25H28N8O2/c1-25(2)14-17-12-20(29-24(34)19-15-28-33-7-3-5-26-23(19)33)21(13-22(17)35-25)32-10-8-31(9-11-32)16-18-4-6-27-30-18/h3-7,12-13,15H,8-11,14,16H2,1-2H3,(H,27,30)(H,29,34)
InChIKeyBFXZSTWCBFWRLT-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-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

US11155557, Example 30
CID 138753291
N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284345
N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284442
N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496681
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497218
N-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497481
N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135200197
N-[5-[2-(difluoromethoxy)-5-iodophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135379267
N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142477311
N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162656118
N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284078
N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284112

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297712) is N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(Cc4ccn[nH]4)CC3)cc2O1.
What is the InChIKey of N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BFXZSTWCBFWRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-25(2)14-17-12-20(29-24(34)19-15-28-33-7-3-5-26-23(19)33)21(13-22(17)35-25)32-10-8-31(9-11-32)16-18-4-6-27-30-18/h3-7,12-13,15H,8-11,14,16H2,1-2H3,(H,27,30)(H,29,34).
What are the key properties of N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-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-[2,2-dimethyl-6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).