3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C16H18N4O2 — CID 171553668

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1CCc2c(C(=O)N3CCOc4ccncc4C3)n[nH]c21
InChIInChI=1S/C16H18N4O2/c1-10-2-3-12-14(10)18-19-15(12)16(21)20-6-7-22-13-4-5-17-8-11(13)9-20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyOIUAUQRHORQXTA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.89
Rot. Bonds1

About 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 171553668) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID171553668
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1CCc2c(C(=O)N3CCOc4ccncc4C3)n[nH]c21
InChIInChI=1S/C16H18N4O2/c1-10-2-3-12-14(10)18-19-15(12)16(21)20-6-7-22-13-4-5-17-8-11(13)9-20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyOIUAUQRHORQXTA-UHFFFAOYSA-N
XLogP1.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone with MolForge

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Related Compounds

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone
CID 90091575
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 146111396
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone
CID 142475902
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-(methylamino)-3-pyridinyl]methanone
CID 81235633
(4-amino-3-pyridinyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 81241112
2-[4-(3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-4-carbonyl)-3,3-difluoro-4-methylpiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
CID 146443070
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 146115378
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(8-fluoro-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 154802091
ethyl (6S)-6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
CID 26599216
[3,3-difluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidin-4-yl]-(3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone
CID 142475951
[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyrazin-2-ylmethanone
CID 26352839
(2-bromo-4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111513

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 171553668) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is CC1CCc2c(C(=O)N3CCOc4ccncc4C3)n[nH]c21.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is OIUAUQRHORQXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-2-3-12-14(10)18-19-15(12)16(21)20-6-7-22-13-4-5-17-8-11(13)9-20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 1.89, 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-(6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 171553668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).