3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone

C16H14N4O2 — CID 171553643

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCOc2ccncc2C1
InChIInChI=1S/C16H14N4O2/c21-16(15-12-3-1-2-4-13(12)18-19-15)20-7-8-22-14-5-6-17-9-11(14)10-20/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyLGHICVBDUUWEHT-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.99
Rot. Bonds1

About 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone (PubChem CID 171553643) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone
PubChem CID171553643
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCOc2ccncc2C1
InChIInChI=1S/C16H14N4O2/c21-16(15-12-3-1-2-4-13(12)18-19-15)20-7-8-22-14-5-6-17-9-11(14)10-20/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyLGHICVBDUUWEHT-UHFFFAOYSA-N
XLogP1.99
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone with MolForge

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Related Compounds

N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777943
N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 146254727
1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724975
1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone
CID 71725009
5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037292
N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047563
N-(6-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 40711278
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone
CID 171553690
US10183940, Example 42
CID 121339145
US10183940, Example 21
CID 121339504
US11472795, Example 4
CID 146240887
[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 42529655

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone (CID 171553643) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone.
What is the SMILES notation for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCOc2ccncc2C1.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone?
The InChIKey is LGHICVBDUUWEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(15-12-3-1-2-4-13(12)18-19-15)20-7-8-22-14-5-6-17-9-11(14)10-20/h1-6,9H,7-8,10H2,(H,18,19).
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone has a molecular weight of 294.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone is sourced from PubChem (CID 171553643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).