N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide

C25H23N5O2 — CID 11626023

IUPACN-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)C1CCOCC1
InChIInChI=1S/C25H23N5O2/c31-25(18-9-13-32-14-10-18)29-20-6-4-17(5-7-20)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,18H,9-10,13-14H2,(H,28,30)(H,29,31)
InChIKeyKGTWDYAHTNDESB-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.57
Rot. Bonds5

About N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide

N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide (PubChem CID 11626023) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide
PubChem CID11626023
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)C1CCOCC1
InChIInChI=1S/C25H23N5O2/c31-25(18-9-13-32-14-10-18)29-20-6-4-17(5-7-20)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,18H,9-10,13-14H2,(H,28,30)(H,29,31)
InChIKeyKGTWDYAHTNDESB-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide (CID 11626023) is N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide is O=C(Nc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide?
The InChIKey is KGTWDYAHTNDESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-25(18-9-13-32-14-10-18)29-20-6-4-17(5-7-20)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,18H,9-10,13-14H2,(H,28,30)(H,29,31).
What are the key properties of N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide?
N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 11626023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).