N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C28H28N6O3 — CID 70929537

IUPACN-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(OCCN5CCCC5=O)cc4)cccn3n2)cc1
InChIInChI=1S/C28H28N6O3/c35-25-4-2-15-33(25)17-18-37-23-13-7-19(8-14-23)24-3-1-16-34-26(24)31-28(32-34)30-22-9-5-20(6-10-22)27(36)29-21-11-12-21/h1,3,5-10,13-14,16,21H,2,4,11-12,15,17-18H2,(H,29,36)(H,30,32)
InChIKeyDWCLHCDDOFNEHU-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.03
Rot. Bonds9

About N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 70929537) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID70929537
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC NameN-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(OCCN5CCCC5=O)cc4)cccn3n2)cc1
InChIInChI=1S/C28H28N6O3/c35-25-4-2-15-33(25)17-18-37-23-13-7-19(8-14-23)24-3-1-16-34-26(24)31-28(32-34)30-22-9-5-20(6-10-22)27(36)29-21-11-12-21/h1,3,5-10,13-14,16,21H,2,4,11-12,15,17-18H2,(H,29,36)(H,30,32)
InChIKeyDWCLHCDDOFNEHU-UHFFFAOYSA-N
XLogP4.03
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane
CID 143916044
N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929643
N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929446
N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553302
N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929475
N-cyclopropyl-4-[[8-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929692
N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929460
N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929524
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 59198981
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348
N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44623824
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane
CID 143929645

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 70929537) is N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is O=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(OCCN5CCCC5=O)cc4)cccn3n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is DWCLHCDDOFNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c35-25-4-2-15-33(25)17-18-37-23-13-7-19(8-14-23)24-3-1-16-34-26(24)31-28(32-34)30-22-9-5-20(6-10-22)27(36)29-21-11-12-21/h1,3,5-10,13-14,16,21H,2,4,11-12,15,17-18H2,(H,29,36)(H,30,32).
What are the key properties of N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 496.57 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 70929537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).