5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

C17H16ClN5O3 — CID 145225708

IUPAC5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCN1C(=O)CCOc2ccccc21.NC(=O)c1n[nH]c2ccc(Cl)nc12
InChIInChI=1S/C10H11NO2.C7H5ClN4O/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;8-4-2-1-3-5(10-4)6(7(9)13)12-11-3/h2-5H,6-7H2,1H3;1-2H,(H2,9,13)(H,11,12)
InChIKeyHUMHZXPADSIORW-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.14
Rot. Bonds1

About 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 145225708) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID145225708
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC Name5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCN1C(=O)CCOc2ccccc21.NC(=O)c1n[nH]c2ccc(Cl)nc12
InChIInChI=1S/C10H11NO2.C7H5ClN4O/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;8-4-2-1-3-5(10-4)6(7(9)13)12-11-3/h2-5H,6-7H2,1H3;1-2H,(H2,9,13)(H,11,12)
InChIKeyHUMHZXPADSIORW-UHFFFAOYSA-N
XLogP2.14
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 145407982
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 145225301
5-[(4-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 144684504
tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen
CID 144684381
1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145225456
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide
CID 145225064
1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145408034
5-benzyl-1H-1,2,4-triazole-3-carboxamide;7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 153360138
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;1-(7-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)propan-1-one
CID 142375280
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 110793066
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepine-2-carboxamide
CID 67050641

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 145225708) is 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is CN1C(=O)CCOc2ccccc21.NC(=O)c1n[nH]c2ccc(Cl)nc12.
What is the InChIKey of 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is HUMHZXPADSIORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C7H5ClN4O/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;8-4-2-1-3-5(10-4)6(7(9)13)12-11-3/h2-5H,6-7H2,1H3;1-2H,(H2,9,13)(H,11,12).
What are the key properties of 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 373.80 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 145225708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).