4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide

C24H22N6O4 — CID 143929539

IUPAC4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(Nc2nc3c(-c4ccc(OCC#N)cc4)cccn3n2)ccc1C(=O)NCCO
InChIInChI=1S/C24H22N6O4/c1-33-21-15-17(6-9-20(21)23(32)26-11-13-31)27-24-28-22-19(3-2-12-30(22)29-24)16-4-7-18(8-5-16)34-14-10-25/h2-9,12,15,31H,11,13-14H2,1H3,(H,26,32)(H,27,29)
InChIKeyZJFSBMBEKFWJEV-UHFFFAOYSA-N
MW458.48 g/mol
LogP2.77
Rot. Bonds9

About 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide

4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide (PubChem CID 143929539) has the molecular formula C24H22N6O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide
PubChem CID143929539
Molecular FormulaC24H22N6O4
Molecular Weight458.48 g/mol
Exact Mass458.17
IUPAC Name4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(Nc2nc3c(-c4ccc(OCC#N)cc4)cccn3n2)ccc1C(=O)NCCO
InChIInChI=1S/C24H22N6O4/c1-33-21-15-17(6-9-20(21)23(32)26-11-13-31)27-24-28-22-19(3-2-12-30(22)29-24)16-4-7-18(8-5-16)34-14-10-25/h2-9,12,15,31H,11,13-14H2,1H3,(H,26,32)(H,27,29)
InChIKeyZJFSBMBEKFWJEV-UHFFFAOYSA-N
XLogP2.77
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide with MolForge

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Related Compounds

N-[3-(dimethylamino)propyl]-3-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44623508
N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44623824
1-[3-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 90798542
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 59198981
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 89109621
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-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
(3,3-difluoroazetidin-1-yl)-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanone
CID 70929439
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59199086
N,N'-diamino-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenecarboximidamide
CID 143916106

Frequently Asked Questions

What is the IUPAC name of 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide?
The IUPAC name of 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide (CID 143929539) is 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide?
The canonical SMILES for 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide is COc1cc(Nc2nc3c(-c4ccc(OCC#N)cc4)cccn3n2)ccc1C(=O)NCCO.
What is the InChIKey of 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide?
The InChIKey is ZJFSBMBEKFWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4/c1-33-21-15-17(6-9-20(21)23(32)26-11-13-31)27-24-28-22-19(3-2-12-30(22)29-24)16-4-7-18(8-5-16)34-14-10-25/h2-9,12,15,31H,11,13-14H2,1H3,(H,26,32)(H,27,29).
What are the key properties of 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide?
4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide has a molecular weight of 458.48 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methoxybenzamide is sourced from PubChem (CID 143929539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).