7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide

C17H13N5O3 — CID 122300248

IUPAC7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cnc(-n4cccn4)nc3)oc12
InChIInChI=1S/C17H13N5O3/c1-24-13-5-2-4-11-8-14(25-15(11)13)16(23)21-12-9-18-17(19-10-12)22-7-3-6-20-22/h2-10H,1H3,(H,21,23)
InChIKeyRTCXECMIENSUCJ-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.67
Rot. Bonds4

About 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide

7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 122300248) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
PubChem CID122300248
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cnc(-n4cccn4)nc3)oc12
InChIInChI=1S/C17H13N5O3/c1-24-13-5-2-4-11-8-14(25-15(11)13)16(23)21-12-9-18-17(19-10-12)22-7-3-6-20-22/h2-10H,1H3,(H,21,23)
InChIKeyRTCXECMIENSUCJ-UHFFFAOYSA-N
XLogP2.67
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 91527109
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78875769
7-methoxy-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 86963547
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
N-(2-imidazol-1-ylpyrimidin-5-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 122300789
7-methoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122316335
N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 122304022
7-methoxy-N-[(1R,5S)-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-2-carboxamide
CID 154876248
2-(2-methoxyphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300315
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide (CID 122300248) is 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3cnc(-n4cccn4)nc3)oc12.
What is the InChIKey of 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is RTCXECMIENSUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c1-24-13-5-2-4-11-8-14(25-15(11)13)16(23)21-12-9-18-17(19-10-12)22-7-3-6-20-22/h2-10H,1H3,(H,21,23).
What are the key properties of 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide?
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 335.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122300248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).