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

C18H17ClN4O3 — CID 137367671

IUPAC5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cnn3ccc(Cl)nc13)CC(C)(C)O2
InChIInChI=1S/C18H17ClN4O3/c1-18(2)8-10-6-12(14(25-3)7-13(10)26-18)21-17(24)11-9-20-23-5-4-15(19)22-16(11)23/h4-7,9H,8H2,1-3H3,(H,21,24)
InChIKeyGIEHHCLGSWFXBC-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.36
Rot. Bonds3

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

5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137367671) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137367671
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cnn3ccc(Cl)nc13)CC(C)(C)O2
InChIInChI=1S/C18H17ClN4O3/c1-18(2)8-10-6-12(14(25-3)7-13(10)26-18)21-17(24)11-9-20-23-5-4-15(19)22-16(11)23/h4-7,9H,8H2,1-3H3,(H,21,24)
InChIKeyGIEHHCLGSWFXBC-UHFFFAOYSA-N
XLogP3.36
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137367671) is 5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc2c(cc1NC(=O)c1cnn3ccc(Cl)nc13)CC(C)(C)O2.
What is the InChIKey of 5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GIEHHCLGSWFXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-18(2)8-10-6-12(14(25-3)7-13(10)26-18)21-17(24)11-9-20-23-5-4-15(19)22-16(11)23/h4-7,9H,8H2,1-3H3,(H,21,24).
What are the key properties of 5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137367671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).