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

C22H25N5O4 — CID 129298275

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cc(CO)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H25N5O4/c1-22(2)9-15-7-17(18(8-19(15)31-22)26-3-5-30-6-4-26)25-21(29)16-11-24-27-12-14(13-28)10-23-20(16)27/h7-8,10-12,28H,3-6,9,13H2,1-2H3,(H,25,29)
InChIKeyKEUQCUNYLCYRPZ-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.02
Rot. Bonds4

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

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129298275) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129298275
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cc(CO)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H25N5O4/c1-22(2)9-15-7-17(18(8-19(15)31-22)26-3-5-30-6-4-26)25-21(29)16-11-24-27-12-14(13-28)10-23-20(16)27/h7-8,10-12,28H,3-6,9,13H2,1-2H3,(H,25,29)
InChIKeyKEUQCUNYLCYRPZ-UHFFFAOYSA-N
XLogP2.02
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.02
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-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129298275) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[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-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cc(CO)cnc34)c(N3CCOCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KEUQCUNYLCYRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-22(2)9-15-7-17(18(8-19(15)31-22)26-3-5-30-6-4-26)25-21(29)16-11-24-27-12-14(13-28)10-23-20(16)27/h7-8,10-12,28H,3-6,9,13H2,1-2H3,(H,25,29).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.02, 4 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-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129298275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).