N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

C26H26N6O4 — CID 70929450

IUPACN-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C26H26N6O4/c33-15-11-27-24(34)19-5-3-18(4-6-19)22-2-1-12-32-23(22)29-26(30-32)28-21-9-7-20(8-10-21)25(35)31-13-16-36-17-14-31/h1-10,12,33H,11,13-17H2,(H,27,34)(H,28,30)
InChIKeyAFVKJJDXCTUSEV-UHFFFAOYSA-N
MW486.53 g/mol
LogP2.33
Rot. Bonds7

About N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (PubChem CID 70929450) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
PubChem CID70929450
Molecular FormulaC26H26N6O4
Molecular Weight486.53 g/mol
Exact Mass486.20
IUPAC NameN-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C26H26N6O4/c33-15-11-27-24(34)19-5-3-18(4-6-19)22-2-1-12-32-23(22)29-26(30-32)28-21-9-7-20(8-10-21)25(35)31-13-16-36-17-14-31/h1-10,12,33H,11,13-17H2,(H,27,34)(H,28,30)
InChIKeyAFVKJJDXCTUSEV-UHFFFAOYSA-N
XLogP2.33
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929598
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59199086
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-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553298
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
4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
CID 70929362
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
N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199039
(3,3-difluoroazetidin-1-yl)-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanone
CID 70929439
N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929643

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (CID 70929450) is N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is O=C(NCCO)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The InChIKey is AFVKJJDXCTUSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4/c33-15-11-27-24(34)19-5-3-18(4-6-19)22-2-1-12-32-23(22)29-26(30-32)28-21-9-7-20(8-10-21)25(35)31-13-16-36-17-14-31/h1-10,12,33H,11,13-17H2,(H,27,34)(H,28,30).
What are the key properties of N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide has a molecular weight of 486.53 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 70929450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).