N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

C29H25N7O2 — CID 70929612

IUPACN,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CN(Cc4ccccn4)C5=O)nc23)cc1
InChIInChI=1S/C29H25N7O2/c1-34(2)27(37)20-10-8-19(9-11-20)24-7-5-15-36-26(24)32-29(33-36)31-22-12-13-25-21(16-22)17-35(28(25)38)18-23-6-3-4-14-30-23/h3-16H,17-18H2,1-2H3,(H,31,33)
InChIKeyXDIADCJCFZRNLC-UHFFFAOYSA-N
MW503.57 g/mol
LogP4.39
Rot. Bonds6

About N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (PubChem CID 70929612) has the molecular formula C29H25N7O2 and a molecular weight of 503.57 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
PubChem CID70929612
Molecular FormulaC29H25N7O2
Molecular Weight503.57 g/mol
Exact Mass503.21
IUPAC NameN,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CN(Cc4ccccn4)C5=O)nc23)cc1
InChIInChI=1S/C29H25N7O2/c1-34(2)27(37)20-10-8-19(9-11-20)24-7-5-15-36-26(24)32-29(33-36)31-22-12-13-25-21(16-22)17-35(28(25)38)18-23-6-3-4-14-30-23/h3-16H,17-18H2,1-2H3,(H,31,33)
InChIKeyXDIADCJCFZRNLC-UHFFFAOYSA-N
XLogP4.39
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929378
N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 90778412
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,N-dimethyl-4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929598
N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44624529
ethyl 4-[2-[4-[methyl(2-pyridin-2-ylethyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434835
2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one
CID 70929521
4-[[8-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91388480
N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
CID 166530339
(3,3-difluoroazetidin-1-yl)-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanone
CID 70929439
2-hydroxy-1-[4-[[8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 70659865
4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid
CID 68571866

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (CID 70929612) is N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is CN(C)C(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CN(Cc4ccccn4)C5=O)nc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The InChIKey is XDIADCJCFZRNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O2/c1-34(2)27(37)20-10-8-19(9-11-20)24-7-5-15-36-26(24)32-29(33-36)31-22-12-13-25-21(16-22)17-35(28(25)38)18-23-6-3-4-14-30-23/h3-16H,17-18H2,1-2H3,(H,31,33).
What are the key properties of N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide has a molecular weight of 503.57 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 70929612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).