5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C22H32N4O3 — CID 145225301

IUPAC5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(C)C.CN1C(=O)CCOc2ccccc21.NC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H11NO2.C8H11N3O.C4H10/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;9-8(12)7-5-3-1-2-4-6(5)10-11-7;1-4(2)3/h2-5H,6-7H2,1H3;1-4H2,(H2,9,12)(H,10,11);4H,1-3H3
InChIKeyYKEBCYMFURMEIX-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.48
Rot. Bonds1

About 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 145225301) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID145225301
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(C)C.CN1C(=O)CCOc2ccccc21.NC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H11NO2.C8H11N3O.C4H10/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;9-8(12)7-5-3-1-2-4-6(5)10-11-7;1-4(2)3/h2-5H,6-7H2,1H3;1-4H2,(H2,9,12)(H,10,11);4H,1-3H3
InChIKeyYKEBCYMFURMEIX-UHFFFAOYSA-N
XLogP3.48
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145225708
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 145407982
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-[(4-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 144684504
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-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
5-methyl-7-[2-(methylamino)propanoyl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501038
N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388880
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanehydrazide
CID 63578860
1-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]-3-propan-2-ylurea
CID 110775263
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 145225301) is 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC(C)C.CN1C(=O)CCOc2ccccc21.NC(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is YKEBCYMFURMEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C8H11N3O.C4H10/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;9-8(12)7-5-3-1-2-4-6(5)10-11-7;1-4(2)3/h2-5H,6-7H2,1H3;1-4H2,(H2,9,12)(H,10,11);4H,1-3H3.
What are the key properties of 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 145225301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).