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

C19H18F2N4O3 — CID 129297547

IUPACN-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2O1
InChIInChI=1S/C19H18F2N4O3/c1-19(2)8-11-6-13(15(7-14(11)28-19)27-10-16(20)21)24-18(26)12-9-23-25-5-3-4-22-17(12)25/h3-7,9,16H,8,10H2,1-2H3,(H,24,26)
InChIKeyAOXQZBXMRRPZKM-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.34
Rot. Bonds5

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

N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297547) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297547
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC NameN-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2O1
InChIInChI=1S/C19H18F2N4O3/c1-19(2)8-11-6-13(15(7-14(11)28-19)27-10-16(20)21)24-18(26)12-9-23-25-5-3-4-22-17(12)25/h3-7,9,16H,8,10H2,1-2H3,(H,24,26)
InChIKeyAOXQZBXMRRPZKM-UHFFFAOYSA-N
XLogP3.34
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297547) is N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2O1.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AOXQZBXMRRPZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-19(2)8-11-6-13(15(7-14(11)28-19)27-10-16(20)21)24-18(26)12-9-23-25-5-3-4-22-17(12)25/h3-7,9,16H,8,10H2,1-2H3,(H,24,26).
What are the key properties of N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).