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

C21H23N5O4 — CID 129284859

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cc(O)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C21H23N5O4/c1-21(2)9-13-7-16(17(8-18(13)30-21)25-3-5-29-6-4-25)24-20(28)15-11-23-26-12-14(27)10-22-19(15)26/h7-8,10-12,27H,3-6,9H2,1-2H3,(H,24,28)
InChIKeyTYPHJDRKQAXQMZ-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.24
Rot. Bonds3

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

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284859) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284859
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cc(O)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C21H23N5O4/c1-21(2)9-13-7-16(17(8-18(13)30-21)25-3-5-29-6-4-25)24-20(28)15-11-23-26-12-14(27)10-22-19(15)26/h7-8,10-12,27H,3-6,9H2,1-2H3,(H,24,28)
InChIKeyTYPHJDRKQAXQMZ-UHFFFAOYSA-N
XLogP2.24
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284859) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cc(O)cnc34)c(N3CCOCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TYPHJDRKQAXQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-21(2)9-13-7-16(17(8-18(13)30-21)25-3-5-29-6-4-25)24-20(28)15-11-23-26-12-14(27)10-22-19(15)26/h7-8,10-12,27H,3-6,9H2,1-2H3,(H,24,28).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).