3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

C26H24N4O2 — CID 45166786

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)NCC3Cc4cccc(-c5ccccn5)c4O3)c2)n1
InChIInChI=1S/C26H24N4O2/c1-17-13-18(2)30(29-17)21-9-5-8-20(14-21)26(31)28-16-22-15-19-7-6-10-23(25(19)32-22)24-11-3-4-12-27-24/h3-14,22H,15-16H2,1-2H3,(H,28,31)
InChIKeyJVYUYVXRBIJXKE-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.28
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45166786) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
PubChem CID45166786
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)NCC3Cc4cccc(-c5ccccn5)c4O3)c2)n1
InChIInChI=1S/C26H24N4O2/c1-17-13-18(2)30(29-17)21-9-5-8-20(14-21)26(31)28-16-22-15-19-7-6-10-23(25(19)32-22)24-11-3-4-12-27-24/h3-14,22H,15-16H2,1-2H3,(H,28,31)
InChIKeyJVYUYVXRBIJXKE-UHFFFAOYSA-N
XLogP4.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45166786) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is Cc1cc(C)n(-c2cccc(C(=O)NCC3Cc4cccc(-c5ccccn5)c4O3)c2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The InChIKey is JVYUYVXRBIJXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17-13-18(2)30(29-17)21-9-5-8-20(14-21)26(31)28-16-22-15-19-7-6-10-23(25(19)32-22)24-11-3-4-12-27-24/h3-14,22H,15-16H2,1-2H3,(H,28,31).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45166786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).