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

C16H13FN4O2 — CID 171553690

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccc(F)cc12)N1CCOc2ccncc2C1
InChIInChI=1S/C16H13FN4O2/c17-11-1-2-13-12(7-11)15(20-19-13)16(22)21-5-6-23-14-3-4-18-8-10(14)9-21/h1-4,7-8H,5-6,9H2,(H,19,20)
InChIKeySLNRXTFZZCRIDL-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.13
Rot. Bonds1

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

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone (PubChem CID 171553690) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone
PubChem CID171553690
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccc(F)cc12)N1CCOc2ccncc2C1
InChIInChI=1S/C16H13FN4O2/c17-11-1-2-13-12(7-11)15(20-19-13)16(22)21-5-6-23-14-3-4-18-8-10(14)9-21/h1-4,7-8H,5-6,9H2,(H,19,20)
InChIKeySLNRXTFZZCRIDL-UHFFFAOYSA-N
XLogP2.13
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777943
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
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone
CID 171553643
US10183940, Example 21
CID 121339504
(18E)-16-ethyl-4-fluoro-11,14-dimethyl-8-oxa-11,14,15,21,22,25-hexazapentacyclo[18.5.2.02,7.013,17.023,27]heptacosa-1(25),2(7),3,5,13(17),15,18,20,23,26-decaen-12-one
CID 164538503
N-[(2-methoxypyridin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 38535439
N-[(2-Methoxypyridin-3-YL)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 53185019
1H-indazol-3-yl{4-[2-(3-pyridyloxy)ethoxy]piperidino}methanone
CID 91918412
3-[2-(Morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-1-carbonyl]-1H-indazole
CID 110198641
1-(1H-Indazole-3-carbonyl)-N-methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198728
1-(1H-Indazole-3-carbonyl)-N-(2-methoxyethyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198815

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone (CID 171553690) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone.
What is the SMILES notation for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccc(F)cc12)N1CCOc2ccncc2C1.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone?
The InChIKey is SLNRXTFZZCRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-11-1-2-13-12(7-11)15(20-19-13)16(22)21-5-6-23-14-3-4-18-8-10(14)9-21/h1-4,7-8H,5-6,9H2,(H,19,20).
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone has a molecular weight of 312.30 g/mol, XLogP of 2.13, 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-(5-fluoro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 171553690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).