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

C22H23F2N5O3 — CID 129284679

IUPAC6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cc(C(F)F)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H23F2N5O3/c1-22(2)9-13-7-16(17(8-18(13)32-22)28-3-5-31-6-4-28)27-21(30)15-11-26-29-12-14(19(23)24)10-25-20(15)29/h7-8,10-12,19H,3-6,9H2,1-2H3,(H,27,30)
InChIKeyRWLDBBQGCNIFOB-UHFFFAOYSA-N
MW443.45 g/mol
LogP3.47
Rot. Bonds4

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

6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284679) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284679
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC Name6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cc(C(F)F)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H23F2N5O3/c1-22(2)9-13-7-16(17(8-18(13)32-22)28-3-5-31-6-4-28)27-21(30)15-11-26-29-12-14(19(23)24)10-25-20(15)29/h7-8,10-12,19H,3-6,9H2,1-2H3,(H,27,30)
InChIKeyRWLDBBQGCNIFOB-UHFFFAOYSA-N
XLogP3.47
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284679) is 6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cc(C(F)F)cnc34)c(N3CCOCC3)cc2O1.
What is the InChIKey of 6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RWLDBBQGCNIFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-22(2)9-13-7-16(17(8-18(13)32-22)28-3-5-31-6-4-28)27-21(30)15-11-26-29-12-14(19(23)24)10-25-20(15)29/h7-8,10-12,19H,3-6,9H2,1-2H3,(H,27,30).
What are the key properties of 6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).