N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H23N5O — CID 90392655

IUPACN-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CCCCc2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)ccc21
InChIInChI=1S/C21H23N5O/c1-25-12-3-2-5-15-13-16(10-11-17(15)25)18-6-4-7-19-22-21(24-26(18)19)23-20(27)14-8-9-14/h4,6-7,10-11,13-14H,2-3,5,8-9,12H2,1H3,(H,23,24,27)
InChIKeyNQEUKVQTBFGXPH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.52
Rot. Bonds3

About N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 90392655) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID90392655
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CCCCc2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)ccc21
InChIInChI=1S/C21H23N5O/c1-25-12-3-2-5-15-13-16(10-11-17(15)25)18-6-4-7-19-22-21(24-26(18)19)23-20(27)14-8-9-14/h4,6-7,10-11,13-14H,2-3,5,8-9,12H2,1H3,(H,23,24,27)
InChIKeyNQEUKVQTBFGXPH-UHFFFAOYSA-N
XLogP3.52
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
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CID 58374651
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597961
N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597468
N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67330143
N-[5-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589894
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
N-[5-[4-(4-methylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44625289
N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 135894059
N-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopentanecarboxamide
CID 59437462
N-[5-[4-(4-cyanopiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374722
N-[5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67331476

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 90392655) is N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CN1CCCCc2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)ccc21.
What is the InChIKey of N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is NQEUKVQTBFGXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25-12-3-2-5-15-13-16(10-11-17(15)25)18-6-4-7-19-22-21(24-26(18)19)23-20(27)14-8-9-14/h4,6-7,10-11,13-14H,2-3,5,8-9,12H2,1H3,(H,23,24,27).
What are the key properties of N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90392655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).