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

C22H24N6O4 — CID 129284483

IUPAC3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cc(C(N)=O)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H24N6O4/c1-22(2)9-13-7-16(17(8-18(13)32-22)27-3-5-31-6-4-27)26-21(30)15-11-25-28-12-14(19(23)29)10-24-20(15)28/h7-8,10-12H,3-6,9H2,1-2H3,(H2,23,29)(H,26,30)
InChIKeyHBIARFMLDXJMQN-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.63
Rot. Bonds4

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

3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 129284483) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID129284483
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cc(C(N)=O)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H24N6O4/c1-22(2)9-13-7-16(17(8-18(13)32-22)27-3-5-31-6-4-27)26-21(30)15-11-25-28-12-14(19(23)29)10-24-20(15)28/h7-8,10-12H,3-6,9H2,1-2H3,(H2,23,29)(H,26,30)
InChIKeyHBIARFMLDXJMQN-UHFFFAOYSA-N
XLogP1.63
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of 3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 129284483) is 3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for 3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for 3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cc(C(N)=O)cnc34)c(N3CCOCC3)cc2O1.
What is the InChIKey of 3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is HBIARFMLDXJMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-22(2)9-13-7-16(17(8-18(13)32-22)27-3-5-31-6-4-27)26-21(30)15-11-25-28-12-14(19(23)29)10-24-20(15)28/h7-8,10-12H,3-6,9H2,1-2H3,(H2,23,29)(H,26,30).
What are the key properties of 3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 129284483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).