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

C21H24N6O2 — CID 129284575

IUPACN-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCNCC3)cc2O1
InChIInChI=1S/C21H24N6O2/c1-21(2)12-14-10-16(17(11-18(14)29-21)26-8-5-22-6-9-26)25-20(28)15-13-24-27-7-3-4-23-19(15)27/h3-4,7,10-11,13,22H,5-6,8-9,12H2,1-2H3,(H,25,28)
InChIKeyCVBSKLHFJPFWIK-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.10
Rot. Bonds3

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

N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284575) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284575
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCNCC3)cc2O1
InChIInChI=1S/C21H24N6O2/c1-21(2)12-14-10-16(17(11-18(14)29-21)26-8-5-22-6-9-26)25-20(28)15-13-24-27-7-3-4-23-19(15)27/h3-4,7,10-11,13,22H,5-6,8-9,12H2,1-2H3,(H,25,28)
InChIKeyCVBSKLHFJPFWIK-UHFFFAOYSA-N
XLogP2.10
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284575) is N-(2,2-dimethyl-6-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-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCNCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CVBSKLHFJPFWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-21(2)12-14-10-16(17(11-18(14)29-21)26-8-5-22-6-9-26)25-20(28)15-13-24-27-7-3-4-23-19(15)27/h3-4,7,10-11,13,22H,5-6,8-9,12H2,1-2H3,(H,25,28).
What are the key properties of N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).