N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide

C25H23N5O2 — CID 10202642

IUPACN-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
InChIKeySAGZIBJAQGBRQA-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.11
Rot. Bonds5

About N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide

N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide (PubChem CID 10202642) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
PubChem CID10202642
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
InChIKeySAGZIBJAQGBRQA-UHFFFAOYSA-N
XLogP4.11
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide (CID 10202642) is N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide is O=C(NC1CCOCC1)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
The InChIKey is SAGZIBJAQGBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31).
What are the key properties of N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 10202642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).