N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

C26H29N5O — CID 59612544

IUPACN-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
SMILESCC(C)COc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1
InChIInChI=1S/C26H29N5O/c1-18(2)17-32-23-6-3-5-21(16-23)24-7-4-14-31-25(24)29-26(30-31)28-22-9-8-19-10-12-27-13-11-20(19)15-22/h3-9,14-16,18,27H,10-13,17H2,1-2H3,(H,28,30)
InChIKeyNZAFXJFWKPERBO-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.86
Rot. Bonds6

About N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine (PubChem CID 59612544) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine.

Molecular Properties

Compound NameN-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
PubChem CID59612544
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC NameN-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
SMILESCC(C)COc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1
InChIInChI=1S/C26H29N5O/c1-18(2)17-32-23-6-3-5-21(16-23)24-7-4-14-31-25(24)29-26(30-31)28-22-9-8-19-10-12-27-13-11-20(19)15-22/h3-9,14-16,18,27H,10-13,17H2,1-2H3,(H,28,30)
InChIKeyNZAFXJFWKPERBO-UHFFFAOYSA-N
XLogP4.86
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine with MolForge

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Related Compounds

N-[8-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
CID 59612565
8-[3-(fluoromethoxy)phenyl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 122698040
2-[7-[[8-[2-(2,2-difluoroethoxy)-5-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N,N-dimethylacetamide
CID 59612344
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916076
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59199086
2-[7-[[8-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N,N-dimethylacetamide
CID 68775788
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide
CID 70943710
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44554838
N-[8-[2-(2,2-difluoroethoxy)-5-(10,10,10-trifluorodecyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(1H-indol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 151794908
2-[4-[4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 59612607
1-[3-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 90798542
4-[[8-[3-(hydroxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199047

Frequently Asked Questions

What is the IUPAC name of N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The IUPAC name of N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine (CID 59612544) is N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine.
What is the SMILES notation for N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The canonical SMILES for N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine is CC(C)COc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1.
What is the InChIKey of N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The InChIKey is NZAFXJFWKPERBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-18(2)17-32-23-6-3-5-21(16-23)24-7-4-14-31-25(24)29-26(30-31)28-22-9-8-19-10-12-27-13-11-20(19)15-22/h3-9,14-16,18,27H,10-13,17H2,1-2H3,(H,28,30).
What are the key properties of N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine has a molecular weight of 427.55 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[3-(2-methylpropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine is sourced from PubChem (CID 59612544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).