N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C25H21N5O2 — CID 44624529

IUPACN-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(-c3ccc4c(c3)CN(Cc3ccccc3)C4=O)cccn2n1)C1CC1
InChIInChI=1S/C25H21N5O2/c31-23(17-8-9-17)27-25-26-22-20(7-4-12-30(22)28-25)18-10-11-21-19(13-18)15-29(24(21)32)14-16-5-2-1-3-6-16/h1-7,10-13,17H,8-9,14-15H2,(H,27,28,31)
InChIKeyJWROMLQBMZXPKP-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.90
Rot. Bonds5

About N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44624529) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44624529
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC NameN-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(-c3ccc4c(c3)CN(Cc3ccccc3)C4=O)cccn2n1)C1CC1
InChIInChI=1S/C25H21N5O2/c31-23(17-8-9-17)27-25-26-22-20(7-4-12-30(22)28-25)18-10-11-21-19(13-18)15-29(24(21)32)14-16-5-2-1-3-6-16/h1-7,10-13,17H,8-9,14-15H2,(H,27,28,31)
InChIKeyJWROMLQBMZXPKP-UHFFFAOYSA-N
XLogP3.90
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44624529) is N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2c(-c3ccc4c(c3)CN(Cc3ccccc3)C4=O)cccn2n1)C1CC1.
What is the InChIKey of N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is JWROMLQBMZXPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c31-23(17-8-9-17)27-25-26-22-20(7-4-12-30(22)28-25)18-10-11-21-19(13-18)15-29(24(21)32)14-16-5-2-1-3-6-16/h1-7,10-13,17H,8-9,14-15H2,(H,27,28,31).
What are the key properties of N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 423.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44624529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).