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

C24H27F2N5O2 — CID 129284577

IUPACN-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(C3CCN(CC(F)F)CC3)cc2O1
InChIInChI=1S/C24H27F2N5O2/c1-24(2)12-16-10-19(29-23(32)18-13-28-31-7-3-6-27-22(18)31)17(11-20(16)33-24)15-4-8-30(9-5-15)14-21(25)26/h3,6-7,10-11,13,15,21H,4-5,8-9,12,14H2,1-2H3,(H,29,32)
InChIKeyNCCHJSJRDICYDC-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.14
Rot. Bonds5

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

N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284577) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284577
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC NameN-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(C3CCN(CC(F)F)CC3)cc2O1
InChIInChI=1S/C24H27F2N5O2/c1-24(2)12-16-10-19(29-23(32)18-13-28-31-7-3-6-27-22(18)31)17(11-20(16)33-24)15-4-8-30(9-5-15)14-21(25)26/h3,6-7,10-11,13,15,21H,4-5,8-9,12,14H2,1-2H3,(H,29,32)
InChIKeyNCCHJSJRDICYDC-UHFFFAOYSA-N
XLogP4.14
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298284
2-tert-butyl-4-[2,2-dimethyl-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-3H-1-benzofuran-6-yl]piperidine-1-carboxylic acid
CID 129284559
N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284246
N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284029
N-[2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298333
N-[6-(4-acetyl-1,4-diazepan-1-yl)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298193
N-[(2S)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284623
N-[6-[3-(2-methoxyethyl)pyrrolidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338886
N-[6-[4-(1-amino-1-oxopropan-2-yl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298500
N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297042
[1-[2,2-dimethyl-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-3H-1-benzofuran-6-yl]piperidin-4-yl]methyl diethyl phosphate
CID 129284402
N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354419

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284577) is N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(C3CCN(CC(F)F)CC3)cc2O1.
What is the InChIKey of N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NCCHJSJRDICYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c1-24(2)12-16-10-19(29-23(32)18-13-28-31-7-3-6-27-22(18)31)17(11-20(16)33-24)15-4-8-30(9-5-15)14-21(25)26/h3,6-7,10-11,13,15,21H,4-5,8-9,12,14H2,1-2H3,(H,29,32).
What are the key properties of N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).