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

C22H23F2N5O4 — CID 129284701

IUPAC6-(difluoromethoxy)-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(OC(F)F)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H23F2N5O4/c1-22(2)9-13-7-16(17(8-18(13)33-22)28-3-5-31-6-4-28)27-20(30)15-11-26-29-12-14(32-21(23)24)10-25-19(15)29/h7-8,10-12,21H,3-6,9H2,1-2H3,(H,27,30)
InChIKeyDXMGHCDNGMJDDD-UHFFFAOYSA-N
MW459.45 g/mol
LogP3.13
Rot. Bonds5

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

6-(difluoromethoxy)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284701) has the molecular formula C22H23F2N5O4 and a molecular weight of 459.45 g/mol. Its IUPAC name is 6-(difluoromethoxy)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethoxy)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284701
Molecular FormulaC22H23F2N5O4
Molecular Weight459.45 g/mol
Exact Mass459.17
IUPAC Name6-(difluoromethoxy)-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(OC(F)F)cnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C22H23F2N5O4/c1-22(2)9-13-7-16(17(8-18(13)33-22)28-3-5-31-6-4-28)27-20(30)15-11-26-29-12-14(32-21(23)24)10-25-19(15)29/h7-8,10-12,21H,3-6,9H2,1-2H3,(H,27,30)
InChIKeyDXMGHCDNGMJDDD-UHFFFAOYSA-N
XLogP3.13
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-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-(difluoromethoxy)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284701) is 6-(difluoromethoxy)-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-(difluoromethoxy)-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-(difluoromethoxy)-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(OC(F)F)cnc34)c(N3CCOCC3)cc2O1.
What is the InChIKey of 6-(difluoromethoxy)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DXMGHCDNGMJDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O4/c1-22(2)9-13-7-16(17(8-18(13)33-22)28-3-5-31-6-4-28)27-20(30)15-11-26-29-12-14(32-21(23)24)10-25-19(15)29/h7-8,10-12,21H,3-6,9H2,1-2H3,(H,27,30).
What are the key properties of 6-(difluoromethoxy)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(difluoromethoxy)-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 459.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-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 129284701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).