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

C21H23N5O2 — CID 129297015

IUPACN-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC3)cc2O1
InChIInChI=1S/C21H23N5O2/c1-21(2)12-14-10-16(17(11-18(14)28-21)25-7-3-4-8-25)24-20(27)15-13-23-26-9-5-6-22-19(15)26/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,24,27)
InChIKeyXNKBJGBUELOBBG-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.30
Rot. Bonds3

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

N-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297015) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297015
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC3)cc2O1
InChIInChI=1S/C21H23N5O2/c1-21(2)12-14-10-16(17(11-18(14)28-21)25-7-3-4-8-25)24-20(27)15-13-23-26-9-5-6-22-19(15)26/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,24,27)
InChIKeyXNKBJGBUELOBBG-UHFFFAOYSA-N
XLogP3.30
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297015) is N-(2,2-dimethyl-6-pyrrolidin-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-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XNKBJGBUELOBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-21(2)12-14-10-16(17(11-18(14)28-21)25-7-3-4-8-25)24-20(27)15-13-23-26-9-5-6-22-19(15)26/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,24,27).
What are the key properties of N-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).