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

C25H27N7O3 — CID 129297716

IUPACN-[2,2-dimethyl-6-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(Cc4cnoc4)CC3)cc2O1
InChIInChI=1S/C25H27N7O3/c1-25(2)12-18-10-20(29-24(33)19-14-27-32-5-3-4-26-23(19)32)21(11-22(18)35-25)31-8-6-30(7-9-31)15-17-13-28-34-16-17/h3-5,10-11,13-14,16H,6-9,12,15H2,1-2H3,(H,29,33)
InChIKeyHWZWZLRTFSSDAQ-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.01
Rot. Bonds5

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

N-[2,2-dimethyl-6-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297716) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-[4-(1,2-oxazol-4-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-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297716
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-[2,2-dimethyl-6-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(Cc4cnoc4)CC3)cc2O1
InChIInChI=1S/C25H27N7O3/c1-25(2)12-18-10-20(29-24(33)19-14-27-32-5-3-4-26-23(19)32)21(11-22(18)35-25)31-8-6-30(7-9-31)15-17-13-28-34-16-17/h3-5,10-11,13-14,16H,6-9,12,15H2,1-2H3,(H,29,33)
InChIKeyHWZWZLRTFSSDAQ-UHFFFAOYSA-N
XLogP3.01
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-[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-[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
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
N-[6-[4-[(2R)-2-ethyl-4-oxopyrrolidin-1-yl]piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157380711
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
[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-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354413
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180
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

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-[4-(1,2-oxazol-4-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-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297716) is N-[2,2-dimethyl-6-[4-(1,2-oxazol-4-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-(1,2-oxazol-4-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-(1,2-oxazol-4-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(Cc4cnoc4)CC3)cc2O1.
What is the InChIKey of N-[2,2-dimethyl-6-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HWZWZLRTFSSDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-25(2)12-18-10-20(29-24(33)19-14-27-32-5-3-4-26-23(19)32)21(11-22(18)35-25)31-8-6-30(7-9-31)15-17-13-28-34-16-17/h3-5,10-11,13-14,16H,6-9,12,15H2,1-2H3,(H,29,33).
What are the key properties of N-[2,2-dimethyl-6-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2,2-dimethyl-6-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-6-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).