N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C28H24N6O3 — CID 67329408

IUPACN-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(COC2CN(C(=O)c3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)C2)cc1
InChIInChI=1S/C28H24N6O3/c29-14-18-4-6-19(7-5-18)17-37-23-15-33(16-23)27(36)22-12-8-20(9-13-22)24-2-1-3-25-30-28(32-34(24)25)31-26(35)21-10-11-21/h1-9,12-13,21,23H,10-11,15-17H2,(H,31,32,35)
InChIKeyOTGUXANSDUUEMZ-UHFFFAOYSA-N
MW492.54 g/mol
LogP3.66
Rot. Bonds7

About N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 67329408) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID67329408
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC NameN-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(COC2CN(C(=O)c3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)C2)cc1
InChIInChI=1S/C28H24N6O3/c29-14-18-4-6-19(7-5-18)17-37-23-15-33(16-23)27(36)22-12-8-20(9-13-22)24-2-1-3-25-30-28(32-34(24)25)31-26(35)21-10-11-21/h1-9,12-13,21,23H,10-11,15-17H2,(H,31,32,35)
InChIKeyOTGUXANSDUUEMZ-UHFFFAOYSA-N
XLogP3.66
TPSA112.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 67329408) is N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#Cc1ccc(COC2CN(C(=O)c3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)C2)cc1.
What is the InChIKey of N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is OTGUXANSDUUEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c29-14-18-4-6-19(7-5-18)17-37-23-15-33(16-23)27(36)22-12-8-20(9-13-22)24-2-1-3-25-30-28(32-34(24)25)31-26(35)21-10-11-21/h1-9,12-13,21,23H,10-11,15-17H2,(H,31,32,35).
What are the key properties of N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 492.54 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[3-[(4-cyanophenyl)methoxy]azetidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67329408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).