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

C23H25N5O5 — CID 129283933

IUPAC6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)c1cnc2c(C(=O)Nc3cc4c(cc3N3CCOCC3)O[C@@](C)(CO)C4)cnn2c1
InChIInChI=1S/C23H25N5O5/c1-14(30)16-10-24-21-17(11-25-28(21)12-16)22(31)26-18-7-15-9-23(2,13-29)33-20(15)8-19(18)27-3-5-32-6-4-27/h7-8,10-12,29H,3-6,9,13H2,1-2H3,(H,26,31)/t23-/m1/s1
InChIKeyICEWQGOCYPOXBT-HSZRJFAPSA-N
MW451.48 g/mol
LogP1.71
Rot. Bonds5

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

6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129283933) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129283933
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)c1cnc2c(C(=O)Nc3cc4c(cc3N3CCOCC3)O[C@@](C)(CO)C4)cnn2c1
InChIInChI=1S/C23H25N5O5/c1-14(30)16-10-24-21-17(11-25-28(21)12-16)22(31)26-18-7-15-9-23(2,13-29)33-20(15)8-19(18)27-3-5-32-6-4-27/h7-8,10-12,29H,3-6,9,13H2,1-2H3,(H,26,31)/t23-/m1/s1
InChIKeyICEWQGOCYPOXBT-HSZRJFAPSA-N
XLogP1.71
TPSA118.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129283933) is 6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)c1cnc2c(C(=O)Nc3cc4c(cc3N3CCOCC3)O[C@@](C)(CO)C4)cnn2c1.
What is the InChIKey of 6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ICEWQGOCYPOXBT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-14(30)16-10-24-21-17(11-25-28(21)12-16)22(31)26-18-7-15-9-23(2,13-29)33-20(15)8-19(18)27-3-5-32-6-4-27/h7-8,10-12,29H,3-6,9,13H2,1-2H3,(H,26,31)/t23-/m1/s1.
What are the key properties of 6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129283933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).